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No.

of
No. of Gene No. of
Plant Human
Plant Genus Plant Family Ontology KEGG
Category Target
Terms Pathways
Genes

Abelia Chinensis Abelia Caprifoliaceae 38 100 34

Abelmoschus Manihot Abelmoschus Malvaceae 33 100 34

Abies Bifolia Abies Pinaceae 20 100 25

Abies Excelsa Abies Pinaceae 50 100 23

Abies Nobilis Abies Pinaceae 20 100 19

Abies Pinsapo Var. Marocana Abies Pinaceae 50 100 23

Abies Veitchii Abies Pinaceae 19 100 16

Abies Webbiana Abies Pinaceae 5 0 0

Abrus Precatorius Abrus Fabaceae 14 100 27

Abrus Pulchellus Abrus Fabaceae 13 100 3


No. of
Related
Human
Diseases

212

200

161

214

110

214

93

33

60

31
np_id pref_name iupac_name
NPC98742 YFBXOWRALDUHFB-COMQUAJESA-N n.a.
NPC98125 n.a. n.a.
NPC8747 SGEWCQFRYRRZDC-VPRICQMDSA-M n.a.
NPC86727 FPMOKOLGTNWUOB-GZBFAFLISA-N n.a.
NPC85346 Cycloartenol n.a.
NPC836 n.a. n.a.
NPC82346 JUJPNIDLVJQYEY-SNVBAGLBSA-N n.a.
NPC8202 VHQGIWBXZOXQHR-KAKSUWONSA-N n.a.
NPC76950 WCDMDNMOIJQPML-IKSZGEOFSA-N n.a.
NPC76446 PFOWZHHJGPFJOO-AXWGKNCXSA-O n.a.
NPC76074 SRBFZHDQGSBBOR-OWMBCFKOSA-N n.a.
NPC7149 FIBPQNOQMZOJAV-VBUBNCOFSA-N n.a.
NPC67144 UQPLMKIOBOFXFD-RFLLJTPXSA-N n.a.
NPC58053 Cirsimarin 5-hydroxy-6,7-dimethoxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-
NPC54733 ONQRKEUAIJMULO-KFRVGAGSSA-N n.a.
NPC5380 RYXSCMSHMBXDLZ-PKDKSTQKSA-N n.a.
NPC49776 Abruslactone A n.a.
NPC49103 FZLYRJBAUQHHIH-ZETCQYMHSA-N n.a.
NPC42060 Ursocholanic Acid (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,
NPC39535 RYXSCMSHMBXDLZ-IWBMDVGFSA-N n.a.
NPC37819 KDXKERNSBIXSRK-BXMHHZGSSA-N n.a.
NPC3601 HIIFUGOBGVCVLO-UHFFFAOYSA-N n.a.
NPC35573 n.a. n.a.
NPC33434 n.a. n.a.
NPC32878 n.a. n.a.
NPC32797 n.a. n.a.
NPC32207 n.a. n.a.
NPC31692 n.a. n.a.
NPC31680 n.a. n.a.
NPC3165 JLIDBLDQVAYHNE-QHFMCZIYSA-N n.a.
NPC31646 n.a. n.a.
NPC31603 ILLAZKQERSVUDX-UHFFFAOYSA-N n.a.
NPC31566 n.a. n.a.
NPC31247 JVOZDVTWETUPPI-UHFFFAOYSA-N n.a.
NPC30859 LPLVUJXQOOQHMX-YFINQFFOSA-N n.a.
NPC30827 QAJQSFVKZGNURU-OFNOJSLBSA-N n.a.
NPC30416 Thymoquinol Dimethylether 1,4-dimethoxy-2-methyl-5-propan-2-ylbenzene
NPC30094 5,6,3'-Trihydroxy-3,7,4'-Trimethoxyflavone 5,6-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7-dim
NPC30041 HTWOQGPDBJPHIA-LPEQCFEDSA-N n.a.
NPC29571 ILLAZKQERSVUDX-LLVKDONJSA-N n.a.
NPC29490 Caffeic Acid (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
NPC29147 WHUUTDBJXJRKMK-UHFFFAOYSA-L n.a.
NPC29059 Beta-Amyrin (3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11
NPC28550 HMQKXUDOQSFWTG-PMVVDJGJSA-N n.a.
NPC28415 JLIDBLDQVAYHNE-CZUPAXLBSA-N n.a.
NPC28158 BYWWEUKBVIKXDE-BBOXDSQKSA-N n.a.
NPC28071 Campesteryl Ferulate [(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylh
NPC27430 IBRCXFYYSQDOPL-GDRXQZHVSA-N n.a.
NPC27008 (2S,3R,4R)-2,3,4,5-Tetrahydroxypentanal (2S,3R,4R)-2,3,4,5-tetrahydroxypentanal
NPC26853 IYDYQFJWFLEFKO-SOYIKITFSA-N n.a.
NPC26504 HMQKXUDOQSFWTG-JHZOKJJISA-N n.a.
NPC26247 HHQJBWYXBWOFJY-XVBADSIPSA-N n.a.
NPC26189 ZVIIYPXWZIMUGT-QSFVIRHWSA-N n.a.
NPC25991 JOPKITGVIQRWBI-KYEXWDHISA-N n.a.
NPC25320 OLARKEMZPWGFJU-SFHVURJKSA-N n.a.
NPC25023 JOPKITGVIQRWBI-JLNYLFASSA-N n.a.
NPC24919 UQPLMKIOBOFXFD-AFQPOQBFSA-N n.a.
NPC24804 Abrine (2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acid
NPC24327 2-Methoxy-4-Methyl-1-Propan-2-Ylbenzene 2-methoxy-4-methyl-1-propan-2-ylbenzene
NPC24288 QAJQSFVKZGNURU-HPASMECYSA-N n.a.
NPC24149 Hispidulin 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxychromen-
NPC23640 YFJGKPLRMWQNGT-UUEOHABQSA-N n.a.
NPC23452 KAMJEJATROMPAT-HPASMECYSA-N n.a.
NPC23410 QUARCAYGECBTQS-UTNYUIOZSA-N n.a.
NPC23288 Abruquinone B 2,3-dimethoxy-5-[(3S)-6,7,8-trimethoxy-3,4-dihydro-2H-
NPC23168 BYWWEUKBVIKXDE-VJDWVQAOSA-N n.a.
NPC23008 Trigonelline 1-methylpyridin-1-ium-3-carboxylate
NPC22974 DNAMZLPKKDEZFD-IOENJBPQSA-N n.a.
NPC22870 FPMOKOLGTNWUOB-GUTXKFCHSA-N n.a.
NPC22571 Gallic Acid 3,4,5-trihydroxybenzoic acid
NPC22307 VTKZTYHDRBULDU-SXWTUJBASA-N n.a.
NPC22282 n.a. n.a.
NPC21806 KKBHBCOJHHCOCL-UHFFFAOYSA-N n.a.
NPC21753 RCCHIJJQDUZNBN-VWUVKWPCSA-N n.a.
NPC21477 Cycloartenone n.a.
NPC21040 KAMJEJATROMPAT-WUSAYZOBSA-N n.a.
NPC20131 PLMKQQMDOMTZGG-HDUSDABTSA-N n.a.
NPC20098 QFNQTMIEUDNHAO-UHFFFAOYSA-N n.a.
NPC19757 JUJPNIDLVJQYEY-UHFFFAOYSA-N n.a.
NPC19677 GYDIPQRLDOTECG-PYURGGGNSA-N n.a.
NPC19287 ZEGUWBQDYDXBNS-BTBLRPBKSA-N n.a.
NPC17601 D-Galactose (3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
NPC17473 YFBXOWRALDUHFB-BHPKHCPMSA-N n.a.
NPC17346 n.a. n.a.
NPC16806 BCRCLRXVJYXWBA-FRRDWIJNSA-N n.a.
NPC16782 DZYFVCXNJAYEPO-BURFUSLBSA-N n.a.
NPC16707 YYGNTYWPHWGJRM-FZSSMNSJSA-N n.a.
NPC16095 Eupatorin 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimeth
NPC15966 RYXSCMSHMBXDLZ-URNZOZBJSA-N n.a.
NPC15963 Trigonelline Hydrochloride 1-methylpyridin-1-ium-3-carboxylic acid;chloride
NPC15467 MZNSVGNKPYNUSU-YKKKUJLLSA-N n.a.
NPC14879 JDVSJWBIOCGFMX-GEJCVMBQSA-N n.a.
NPC14649 RDKANLLZYLEUHR-UMLCDBMNSA-N n.a.
NPC14641 VEBYYFUMPFKKJB-UHFFFAOYSA-N n.a.
NPC14588 3-(1H-Indol-3-Yl)-2-(Trimethylazaniumyl)Propa 3-(1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate
NPC14332 JFGCNGKEWNEWHD-UHFFFAOYSA-N n.a.
NPC14050 n.a. n.a.
NPC13716 CPTCHGRDJMOIJZ-XHTKMIFXSA-N n.a.
NPC13705 Acetic Acid Methyl Ester methyl acetate
NPC13385 4-(3-Carboxy-2-Hydroxy-4-Methoxy-6-Methylbe4-(3-carboxy-2-hydroxy-4-methoxy-6-methylbenzoyl)oxy
NPC13187 VPQWOQSQAVBHEV-VKEQRZPTSA-N n.a.
NPC12670 Abrine (L) 3-(1H-indol-3-yl)-2-(methylamino)propanoic acid
NPC12396 Squalene (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-
NPC12322 KAMJEJATROMPAT-OFNOJSLBSA-N n.a.
NPC12016 Cirsimaritin 5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxychromen-
NPC11111 YFJGKPLRMWQNGT-XGXDMWQASA-N n.a.
NPC10985 KIDWQBQBVJXTPW-UHFFFAOYSA-N n.a.
NPC10913 KCFAQTZVEDBYAS-FEDFCMBSSA-N n.a.
NPC10726 TZOHVRDKXUMVIU-UHFFFAOYSA-N n.a.
NPC10614 Prococene I 7-methoxy-2,2-dimethylchromene
NPC10077 n.a. n.a.
chembl_id pubchem_cmw LogS LogD LogP hba hbd psa rotatable_
n.a. n.a. 252:17:00 -1,546 1,456 1,215 3:00 2:00 57:53:00 2:00
n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a.
n.a. 49791957 739:51:00 -4,275 4,768 5,576 14:00 7:00 212:26:00 17:00
n.a. n.a. 248:18:00 -4,631 3:44 3,528 2:00 0:00 26:03:00 1:00
CHEMBL22 92110 426:39:00 -6,718 5,933 8,377 1:00 1:00 20:23 4:00
n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a.
n.a. 5316029 376:12:00 -3,427 2,923 2,954 8:00 3:00 106.84 5:00
n.a. n.a. 524:31:00 -5,444 4:31 4,906 6:00 0:00 86.74 6:00
n.a. n.a. 220:18:00 -3,466 2,794 3,315 1:00 1:00 20:23 0:00
n.a. 11968520 833:03:00 -0.304 -2,648 -4,991 27:00:00 12:00 415:01:00 21:00
n.a. 11008084 150:05:00 0.08125 -1,857 -2,104 5:00 4:00 90:15:00 0:00
n.a. n.a. 292:17:00 -3,438 2,761 3,337 4:00 0:00 52:06:00 4:00
n.a. n.a. 338:21:00 -2,443 2:45 1,982 5:00 0:00 61.83 6:00
CHEMBL51 159460 476:13:00 -3,824 1,241 1,512 11:00 5:00 168:28:00 6:00
n.a. 45109773 426:39:00 -6.67 5,806 8:09 1:00 1:00 20:23 4:00
n.a. n.a. 334:18:00 -3,021 2,046 2,284 5:00 0:00 69.67 6:00
CHEMBL4844575701 454:34:00 -6,152 4,836 6,204 3:00 1:00 46:53:00 0:00
n.a. 11658330 159:13:00 -0.62 0.509028 -0.287 3:00 1:00 40:54:00 4:00
CHEMBL42 92803 360:03:00 -5,998 5,878 7,103 2:00 1:00 37:03:00 4:00
n.a. n.a. 334:18:00 -2,802 1,708 2,407 5:00 0:00 69.67 6:00
n.a. 11378574 147:11:00 -0.519 -1.5 -3,603 4:00 5:00 89:34:00 5:00
n.a. 5319652 426:39:00 -6.94 6,201 7,467 1:00 1:00 20:23 5:00
n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a.
n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a.
n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a.
n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a.
n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a.
n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a.
n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a.
n.a. 643732 678:36:00 -3,939 2,859 2,868 12:00 5:00 172.97 7:00
n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a.
n.a. 9975772 360:12:00 -4,221 3,261 3,131 7:00 2:00 86.61 5:00
n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a.
n.a. 91751362 250:16:00 -4,516 4,406 3,969 3:00 0:00 35:53:00 6:00
n.a. 46878350 822:04:00 -3.84 2,212 2,508 16:00 8:00 267:04:00 7:00
n.a. n.a. 292:17:00 -1,942 1,245 1,683 4:00 1:00 63:06:00 4:00
CHEMBL45 6427071 194:13:00 -4,197 3,832 3,778 2:00 0:00 18:46 3:00
CHEMBL10 442621 360:08:00 -3,877 2,218 2:52 8:00 3:00 118:59:00 4:00
n.a. n.a. 248:18:00 -3,351 3,084 3,306 2:00 0:00 26:03:00 2:00
n.a. 172847 360:12:00 -4,221 3,261 3,131 7:00 2:00 86.61 5:00
CHEMBL14 689043 180:04:00 -1,118 1:02 1:43 4:00 3:00 77.76 2:00
n.a. 5128032 147:05:00 -1,092 -0.644 -3,725 5:00 4:00 100.62 4:00
CHEMBL45 73145 426:39:00 -6,841 5,888 7,713 1:00 1:00 20:23 0:00
n.a. 1.02E+08 822:04:00 -3,229 1,416 0.530556 16:00 8:00 259:02:00 9:00
n.a. 11973680 268:16:00 -3,203 0.322917 2,373 4:00 2:00 74:06:00 4:00
n.a. n.a. 296:02:00 -1,069 1,683 1:22 4:00 1:00 55.76 4:00
CHEMBL3815056832 576:42:00 -7,145 7,083 9,004 4:00 1:00 55.76 10:00
n.a. n.a. 292:17:00 -2,263 1,781 2,139 4:00 0:00 52:06:00 4:00
CHEMBL50 66308 150:05:00 -0.108 -2,446 -2,039 5:00 4:00 97.99 4:00
n.a. n.a. 280:17:00 -2,051 1,608 1,689 4:00 1:00 63:06:00 3:00
n.a. n.a. 822:04:00 -3,431 1,472 1,094 16:00 8:00 259:02:00 9:00
n.a. 1.22E+08 454:34:00 -6,273 0.223611 5,982 3:00 1:00 46:53:00 0:00
n.a. 44258417 476:13:00 -3,761 0.047222 1,398 11:00 6:00 179:28:00 5:00
n.a. n.a. 250:16:00 -2,398 1,131 0.129861 3:00 2:00 57:53:00 1:00
n.a. 25837754 320:16:00 -4,847 3,121 3,747 5:00 0:00 65:13:00 8:00
n.a. n.a. 250:16:00 -2,281 1,157 0.54375 3:00 2:00 57:53:00 1:00
n.a. n.a. 338:21:00 -1.98 2,175 1,957 5:00 0:00 61.83 6:00
CHEMBL55160511;69 218:11:00 -1,936 0.31875 -0.859 4:00 3:00 65:12:00 4:00
CHEMBL24 14104 164:12:00 -3,828 0.185417 3,753 1:00 0:00 9:23 2:00
n.a. n.a. 292:17:00 -2,027 1,398 1,753 4:00 1:00 63:06:00 4:00
CHEMBL29 5281628 300:06:00 -3,631 2,444 3,154 6:00 3:00 100:13:00 2:00
n.a. n.a. 282:15:00 -3,379 0.289583 0.616667 5:00 3:00 82:45:00 1:00
n.a. n.a. 292:17:00 -1,999 0.091667 0.096528 4:00 1:00 63:06:00 4:00
n.a. 5322043 532:38:00 -4,663 3,717 4,274 6:00 3:00 96:22:00 5:00
CHEMBL11 3009614 390:13:00 -3,964 2,958 2,905 8:00 2:00 95.84 6:00
n.a. n.a. 296:02:00 -1,448 2,045 1,568 4:00 1:00 55.76 4:00
CHEMBL35 5570 137:05:00 0.394444 -2,155 -1,936 3:00 0:00 44:01:00 1:00
n.a. 5320902 486:37:00 -5,413 4,449 5,007 4:00 2:00 66.76 2:00
n.a. n.a. 248:18:00 -4,314 3,384 3,418 2:00 0:00 26:03:00 1:00
CHEMBL28 370 170:02:00 -1.22 0.238194 0.447917 5:00 4:00 97.99 1:00
n.a. n.a. 482:03:00 -4.98 3,921 4,386 5:00 1:00 80.67 4:00
n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a.
n.a. 441552 162:05:00 -5,323 2,837 4,947 0:00 0:00 0:00 0:00
n.a. n.a. 478:11:00 -3,614 0.175 0.675694 12:00 7:00 199:51:00 5:00
CHEMBL2212305360 424:37:00 -6,819 5,821 8,136 1:00 0:00 17:07 4:00
n.a. 15601259 292:17:00 -2,175 1,865 1,913 4:00 1:00 63:06:00 4:00
n.a. 11752118 486:37:00 -5,278 4,509 5,591 4:00 2:00 66.76 3:00
n.a. 1.3E+08 178:04:00 -4,156 2,075 4:03 1:00 0:00 17:07 0:00
n.a. 44257520 376:12:00 -3,427 2,923 2,954 8:00 3:00 106.84 5:00
n.a. 50930798 410:39:00 -7,531 7,529 9,279 0:00 0:00 0:00 5:00
n.a. 10252820 442:38:00 -5,924 5,071 6,463 2:00 2:00 40:46:00 0:00
CHEMBL19 6036 180:06:00 -0.054 -2,402 -2,096 6:00 5:00 110:38:00 1:00
n.a. n.a. 252:17:00 -1,518 1,719 1,436 3:00 2:00 57:53:00 2:00
n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a.
n.a. n.a. 236:18:00 -3,298 3,146 2,986 2:00 1:00 37:03:00 1:00
n.a. n.a. 261:14:00 -3.24 1,298 2:44 4:00 3:00 80:39:00 6:00
n.a. 25244109 410:39:00 -6,319 6:05 9:37 0:00 0:00 0:00 15:00
CHEMBL48 97214 344:09:00 -3,835 2,595 3,075 7:00 2:00 98:36:00 4:00
n.a. n.a. 334:18:00 -2,803 0.103472 2,211 5:00 0:00 69.67 6:00
CHEMBL48134606;64 137:05:00 0.394444 -2,155 -1,936 3:00 0:00 44:01:00 1:00
n.a. 11972327 610:19:00 -3.18 -0.039 0.295139 15:00 8:00 234:29:00 8:00
n.a. n.a. 276:17:00 -3,482 2,962 3,477 3:00 0:00 43:37:00 3:00
n.a. 5315715 442:34:00 -5,159 4,294 4,824 3:00 2:00 57:53:00 0:00
n.a. 44257585 508:19:00 -2,862 0.318056 1,732 11:00 5:00 180:05:00 11:00
CHEMBL44 3861164 246:14:00 0.223611 -0.998 -2,079 4:00 1:00 55.92 4:00
n.a. 5318389 349:06:00 -6,436 3,351 3,924 7:00 1:00 83:18:00 1:00
n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a.
n.a. 51051617 400:37:00 -6,615 7,198 8,071 1:00 0:00 17:07 5:00
CHEMBL14 6584 74:04:00 0.479861 0.102778 0.078472 2:00 0:00 26:03:00 1:00
CHEMBL17 5321482 390:01:00 -3,113 4,489 4,333 9:00 4:00 150:59:00 6:00
n.a. 56940673 434:12:00 -3,928 0.1375 0.357639 10:00 7:00 177:14:00 3:00
CHEMBL23914;25200 218:11:00 -1,936 0.31875 -0.859 4:00 3:00 65:12:00 4:00
CHEMBL45 638072 410:39:00 -6,915 6,955 10,065 0:00 0:00 0:00 15:00
n.a. n.a. 292:17:00 -1.94 1,457 1,763 4:00 1:00 63:06:00 4:00
CHEMBL34 188323 314:08:00 -3,668 2,628 3:02 6:00 2:00 89:13:00 3:00
n.a. n.a. 535:17:00 -1.96 -0.328 -0.662 13:00 9:00 218.63 5:00
n.a. 54704420 289:06:00 -2.55 -0.648 -0.6 7:00 2:00 110.77 4:00
n.a. n.a. 306:18:00 -2,201 1,955 2,202 4:00 0:00 52:06:00 5:00
n.a. 44257521 486:37:00 -3,692 4,856 10,479 4:00 2:00 70.67 19:00
CHEMBL45 28619 190:01:00 -4,061 3,646 3,718 2:00 0:00 18:46 1:00
n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a. n.a.
rings standard_istandard_inchi_kecanonical_if_analyzed
2:00 InChI=1S/CYFBXOWRALDUHFC=C1CCC[CNPO2865 others
n.a. InChI=1S/CNISBQKZXGCOUOUCC1=CC[C NPO2865 others
1:00 InChI=1S/CSGEWCQFRYRRZDc1cc(ccc1 NPO2865 others
2:00 InChI=1S/CFPMOKOLGTNWUOB C=C1CC[C@ NPO2865 others
5:00 InChI=1S/CONQRKEUAIJMULO CC(=CCC[CNPO2865 analyzed
n.a. InChI=1S/CJFSHUTJDVKUMTJCC1(C)CC[ NPO2865 others
3:00 InChI=1S/CJUJPNIDLVJQYEY- COC1=C(C(NPO2865 others
4:00 InChI=1S/CVHQGIWBXZOXQHC=C1CC[C@ NPO2865 others
3:00 InChI=1S/CWCDMDNMOIJQPM C[C@@H]1C NPO2865 others
1:00 InChI=1S/CPFOWZHHJGPFJO CC1(C)C2CNPO2865 others
1:00 InChI=1S/CSRBFZHDQGSBBO C1[C@@H]NPO2865 others
2:00 InChI=1S/CFIBPQNOQMZOJAV C=C1CC/C=NPO2865 others
2:00 InChI=1S/CUQPLMKIOBOFXFD- C=C1CC[C NPO2865 others
4:00 InChI=1S/CRETJLKUBHXTIGH-COc1cc2c( NPO2865 analyzed
5:00 InChI=1S/CONQRKEUAIJMULO CC(=CCC[CNPO2865 others
2:00 InChI=1S/CRYXSCMSHMBXDLZ C=C1CC/C=NPO2865 others
6:00 InChI=1S/CHHQJBWYXBWOFJY O[C@@H]1C NPO2865 analyzed
0:00 InChI=1S/CFZLYRJBAUQHHIH CC(C)C[C@NPO2865 others
4:00 InChI=1S/CRPKLZQLYODPWTM C[C@H](CCNPO2865 analyzed
2:00 InChI=1S/CRYXSCMSHMBXDLC=C1CC/C=NPO2865 others
0:00 InChI=1S/CKDXKERNSBIXSRK [13CH2](C NPO2865 others
4:00 InChI=1S/CHIIFUGOBGVCVLOCCC(=C(C) NPO2865 others
n.a. InChI=1S/CDZYFVCXNJAYEPO-C=C1CC[C@ NPO2865 others
n.a. InChI=1S/CINCULGNJNLRUCHCC1=CC[C@ NPO2865 others
n.a. InChI=1S/CHCXVJBMSMIARINCCC(C=CC(NPO2865 others
n.a. InChI=1S/CDNAMZLPKKDEZFDCC1(C2CCCNPO2865 others
n.a. InChI=1S/CJTBGJQZJEYVBJZ- CC1(C2CCCNPO2865 others
n.a. InChI=1S/CSGNBVLSWZMBQTCC(C)C(C) NPO2865 others
n.a. InChI=1S/CHHQJBWYXBWOFJCC1(C2CCCNPO2865 others
8:00 InChI=1S/CJLIDBLDQVAYHNE C/C(=C/C(=NPO2865 others
n.a. InChI=1S/CJTBGJQZJEYVBJZ- CC1(C2CCCNPO2865 others
3:00 InChI=1S/CILLAZKQERSVUDX COc1cc2CCNPO2865 others
n.a. InChI=1S/CCKLJMWTZIZZHCSC(C(C(=O)[ NPO2865 others
1:00 InChI=1S/CJVOZDVTWETUPPICC(C)c1cccNPO2865 others
7:00 InChI=1S/CLPLVUJXQOOQHMX CC1(C)[C@NPO2865 others
2:00 InChI=1S/CQAJQSFVKZGNURUC=C1CC/C=NPO2865 others
1:00 InChI=1S/CVTRMVHBUTNPBTP CC(C)c1cc(NPO2865 analyzed
3:00 InChI=1S/CUQBUUCDVKDSHCE COc1ccc(ccNPO2865 analyzed
2:00 InChI=1S/CHTWOQGPDBJPHIA C=C1CC/C=NPO2865 others
3:00 InChI=1S/CILLAZKQERSVUDX-COc1cc2C[NPO2865 others
1:00 InChI=1S/CQAIPRVGONGVQAS c1cc(c(cc1 NPO2865 analyzed
0:00 InChI=1S/CWHUUTDBJXJRKMK C(CC(=O)[ONPO2865 others
5:00 InChI=1S/CJFSHUTJDVKUMTJCC1(C)CC[ NPO2865 analyzed
8:00 InChI=1S/CHMQKXUDOQSFWT CC1=CC[C@ NPO2865 others
1:00 InChI=1S/CJLIDBLDQVAYHNE-C/C(=C/C(=NPO2865 others
2:00 InChI=1S/CBYWWEUKBVIKXDE C=C1CC[C@ NPO2865 others
5:00 InChI=1S/CSWIWTAJTJOYCTBCC(C)[C@HNPO2865 analyzed
2:00 InChI=1S/CIBRCXFYYSQDOPL C=C1CC/C=NPO2865 others
0:00 InChI=1S/CPYMYPHUHKUWML C(=O)[C@HNPO2865 analyzed
2:00 InChI=1S/CIYDYQFJWFLEFKO-C=C1CC/C=NPO2865 others
8:00 InChI=1S/CHMQKXUDOQSFWTG CC1=CC[C NPO2865 others
6:00 InChI=1S/CHHQJBWYXBWOFJY CC1(C)C2CNPO2865 others
4:00 InChI=1S/CZVIIYPXWZIMUGTCOc1c(c2c(NPO2865 others
2:00 InChI=1S/CJOPKITGVIQRWBI-C=C1CC[C@ NPO2865 others
2:00 InChI=1S/COLARKEMZPWGFJU CC(C)C(=O)NPO2865 others
2:00 InChI=1S/CJOPKITGVIQRWBI-C=C1CC[C@ NPO2865 others
2:00 InChI=1S/CUQPLMKIOBOFXFDC=C1CC[C@ NPO2865 others
2:00 InChI=1S/CCZCIKBSVHDNIDH CN[C@@H]( NPO2865 analyzed
1:00 InChI=1S/CLSQXNMXDFRRDSJCOc1cc(C)cNPO2865 analyzed
2:00 InChI=1S/CQAJQSFVKZGNURUC=C1CC/C=NPO2865 others
3:00 InChI=1S/CIHFBPDAQLQOCBXCOc1c(cc2cNPO2865 analyzed
4:00 InChI=1S/CYFJGKPLRMWQNGC=C1CC/C=NPO2865 others
2:00 InChI=1S/CKAMJEJATROMPATC=C1CC/C=NPO2865 others
5:00 InChI=1S/CQUARCAYGECBTQSCC(=O)O[CNPO2865 others
3:00 InChI=1S/CTZOHVRDKXUMVIU COc1cc2C[NPO2865 analyzed
2:00 InChI=1S/CBYWWEUKBVIKXDC=C1CC[C NPO2865 others
1:00 InChI=1S/CWWNNZCOKKKDOP C[n+]1ccccNPO2865 analyzed
5:00 InChI=1S/CDNAMZLPKKDEZFDCC1(C)C2CNPO2865 others
2:00 InChI=1S/CFPMOKOLGTNWUO C=C1CC[C@ NPO2865 others
1:00 InChI=1S/CLNTHITQWFMADLc1c(cc(c(c NPO2865 analyzed
4:00 InChI=1S/CVTKZTYHDRBULDUC=C1CC[C@ NPO2865 others
n.a. InChI=1S/CNBOVJURIMDHEEI-COc1cc2[CNPO2865 others
0:00 InChI=1S/CKKBHBCOJHHCOCLC=CC#CC# NPO2865 others
4:00 InChI=1S/CRCCHIJJQDUZNBNCOc1c(=O)NPO2865 others
5:00 InChI=1S/CNAJCQAAOHKVCESCC(=CCC[CNPO2865 analyzed
2:00 InChI=1S/CKAMJEJATROMPATC=C1CC/C=NPO2865 others
5:00 InChI=1S/CPLMKQQMDOMTZG CC1(C)CC[ NPO2865 analyzed
0:00 InChI=1S/CQFNQTMIEUDNHACC#CC#CC#NPO2865 others
3:00 InChI=1S/CJUJPNIDLVJQYEY- COC1=C(C(NPO2865 others
4:00 InChI=1S/CGYDIPQRLDOTECGCC[C@@H]( NPO2865 others
5:00 InChI=1S/CZEGUWBQDYDXBNS CC1(C)C[C NPO2865 others
1:00 InChI=1S/CWQZGKKKJIJFFOK-C([C@@H]1 NPO2865 analyzed
2:00 InChI=1S/CYFBXOWRALDUHFC=C1CCC[ NPO2865 others
n.a. InChI=1S/CQAJQSFVKZGNURUC=C1CC/C=NPO2865 others
2:00 InChI=1S/CBCRCLRXVJYXWBAC=C1CCC[CNPO2865 others
1:00 InChI=1S/CDZYFVCXNJAYEPOC=C1CC[C@ NPO2865 others
0:00 InChI=1S/CYYGNTYWPHWGJRCC(=CCC/C(NPO2865 others
3:00 InChI=1S/CKLAOKWJLUQKWIFCOc1ccc(ccNPO2865 analyzed
2:00 InChI=1S/CRYXSCMSHMBXDLZ C=C1CC/C=NPO2865 others
1:00 InChI=1S/CTZSYLWAXZMNUJBC[n+]1cccc(NPO2865 analyzed
5:00 InChI=1S/CMZNSVGNKPYNUSU COc1c(c2c NPO2865 others
2:00 InChI=1S/CJDVSJWBIOCGFMXC=C1CC/C=NPO2865 others
5:00 InChI=1S/CRDKANLLZYLEUHRCC1(C)CC2NPO2865 others
3:00 InChI=1S/CVEBYYFUMPFKKJBCOc1ccc(ccNPO2865 others
2:00 InChI=1S/CAOHCBEAZXHZMOR C[N+](C)(C NPO2865 analyzed
6:00 InChI=1S/CJFGCNGKEWNEWHc1cnc(c2c NPO2865 others
n.a. InChI=1S/CKLBQQJXKVACGIQCC1=CC[C@ NPO2865 others
4:00 InChI=1S/CCPTCHGRDJMOIJZCC(C)[C@HNPO2865 others
0:00 InChI=1S/CKXKVLQRXCPHEJCCC(=O)OC NPO2865 analyzed
2:00 InChI=1S/CWCWYEXBIRSSVGFCc1cc(c(C) NPO2865 analyzed
4:00 InChI=1S/CVPQWOQSQAVBHE c1cc(ccc1 NPO2865 others
2:00 InChI=1S/CCZCIKBSVHDNIDH CNC(Cc1c[ NPO2865 analyzed
0:00 InChI=1S/CYYGNTYWPHWGJRM C/C(=CCC/CNPO2865 analyzed
2:00 InChI=1S/CKAMJEJATROMPATC=C1CC/C=NPO2865 others
3:00 InChI=1S/CZIIAJIWLQUVGHB-COc1cc2c(cNPO2865 analyzed
5:00 InChI=1S/CYFJGKPLRMWQNGC=C1CC/C=NPO2865 others
2:00 InChI=1S/CKIDWQBQBVJXTPW C[n+]1ccccNPO2865 others
2:00 InChI=1S/CKCFAQTZVEDBYASC=C1CC/C=NPO2865 others
2:00 InChI=1S/CTZOHVRDKXUMVIU COc1cc2CCNPO2865 others
2:00 InChI=1S/CCPTJXGLQLVPIGP-COc1ccc2c(NPO2865 analyzed
n.a. InChI=1S/CCJHYXUPCGHKJOOCC1=CC[C NPO2865 others
Number of matched data :29

C_ID CAS ID Metabolite Molecular formula Mw

C00051118 117230-29-2 Kaikasaponin III methyl ester C49H80O17 94,053,955,113

C00050525 750643-77-7 Abruquinone G C20H24O9 40,814,203,237

C00024127 211568-33-1 Abrussaponin II C48H76O19 95,649,808,025

C00024126 211568-32-0 Abrussaponin I C42H66O15 81,044,017,144

C00019429 168433-91-8 Abruquinone F C19H20O8 37,611,581,762

C00019428 168433-90-7 Abruquinone E C21H24O9 42,014,203,237

C00019427 168433-89-4 Abruquinone D C19H20O8 37,611,581,762

C00019260 254991-31-6 5,7-Dihydroxy-4',6-dimethoxyisoflavone 7- C23H24O11 47,613,186,161


O-beta-D-galactopyranoside

C00014053 211568-62-6 Precatorin II C28H32O15 60,817,412,036

C00014052 211568-81-9 Precatorin III C27H30O14 57,816,355,567

C00013987 476644-81-2 3,4'-Dihydroxy-7,3',5'-trimethoxyflavone 3- C29H34O16 63,818,468,504


galactosyl-(1->4)-xyloside

C00009747 71593-09-4 Abruquinone B C20H22O8 39,013,146,768

C00009746 71593-11-8 Abruquinone C C19H20O8 37,611,581,762

C00009745 71593-10-7 Abruquinone A C19H20O7 36,012,090,299

C00006704 53158-73-9 Delphinidin 3-sambubioside C26H29O16 59,714,555,988

C00006292 120727-04-0 Abrusin 2''-O-beta-apiofuranoside C28H32O15 60,817,412,036

C00006150 120727-02-8 Abrusin C23H24O11 47,613,186,161

C00006149 120727-05-1 Swertisin 8-methyl ether C23H24O11 47,613,186,161

C00003872 76575-03-6 Abrectorin C17H14O6 31,407,903,818


C00003755 111-02-4 All-trans-squalene C30H50 41,039,125,159

C00003674 83-48-7 beta-Stigmasterol C29H48O 41,237,051,615

C00003522 1405-86-3 Glycyrrhizic acid C42H62O16 82,240,378,593

C00003496 124962-06-7 Abrusoside A C36H54O10 64,637,169,795

C00002647 149-91-7 Gallic acid C7H6O5 1,700,215,233

C00001740 487-58-1 Hypaphorine C14H18N2O2 24,613,682,783

C00001555 535-83-1 Trigonelline C7H7NO2 13,704,767,848

C00001331 526-31-8 L-Abrine C12H14N2O2 21,810,552,771

C00001055 4261-42-1 Isoorientin C21H20O11 44,810,056,148

C00000674 491-70-3 5,7,3',4'-Tetrahydroxyflavone C15H10O6 28,604,773,805


Organism or InChIKey etc.

Abrus precatorius

Abrus precatorius

Abrus precatorius L.

Abrus precatorius L.

Abrus precatorius

Abrus precatorius

Abrus precatorius

Abrus precatorius

Abrus precatorius

Abrus precatorius

Abrus precatorius

Abrus precatorius

Abrus precatorius

Abrus precatorius

Abrus precatorius

Abrus precatorius

Abrus precatorius

Abrus precatorius

Abrus precatorius
Abrus precatorius

Abrus precatorius

Abrus precatorius

Abrus precatorius

Abrus precatorius

Abrus precatorius

Abrus precatorius

Abrus precatorius

Abrus precatorius

Abrus precatorius
Symbol ▲ Description Category ▲ UniProt ID GIFtS ▲ GC id ▲ Score ▼

1 SCN11A Sodium Protein Q9UI33 52 GC03M038862 113.65


Voltage-Gated Coding
Channel Alpha
Subunit 11

2 SCN9A Sodium Protein Q15858 56 GC02M166195 108:17:00


Voltage-Gated Coding
Channel Alpha
Subunit 9

3 NTRK1 Neurotrophic Protein P04629 58 GC01P156815 103:52:00


Receptor Coding
Tyrosine
Kinase 1
4 SCN1A-AS1SCN1A And RNA Gene 22 GC02P165959 77:17:00
SCN9A
Antisense RNA
1
5 SCN10A Sodium Protein Q9Y5Y9 56 GC03M038713 56.84
Voltage-Gated Coding
Channel Alpha
Subunit 10

6 TRPA1 Transient Protein O75762 55 GC08M072019 41:41:00


Receptor Coding
Potential
Cation
Channel
Subfamily A
Member 1

7 PRDM12 PR/SET Protein Q9H4Q4 44 GC09P130664 39.90


Domain 12 Coding
8 NGF Nerve Growth Protein P01138 60 GC01M115285 30.83
Factor Coding
9 SCN4A Sodium Protein P35499 54 GC17M063938 30:14:00
Voltage-Gated Coding
Channel Alpha
Subunit 4

10 TRPV1 Transient Protein Q8NER1 56 GC17M003565 28:11:00


Receptor Coding
Potential
Cation
Channel
Subfamily V
Member 1

11 BDNF-AS BDNF RNA Gene 28 GC11P027466 27:36:00


Antisense RNA

12 PTGS2 Prostaglandin- Protein P35354 58 GC01M186671 27:21:00


Endoperoxide Coding
Synthase 2
13 IL6 Interleukin 6 Protein P05231 60 GC07P022725 26:51:00
Coding
14 OPRM1 Opioid Protein P35372 56 GC06P154243 26:39:00
Receptor Mu 1 Coding

15 TNF Tumor Protein P01375 61 GC06P125492 25.93


Necrosis Coding
Factor
16 COMT Catechol-O- Protein P21964 60 GC22P019941 24:52:00
Methyltransfer Coding
ase
17 IL10 Interleukin 10 Protein P22301 56 GC01M206767 24:00:00
Coding
18 IL1B Interleukin 1 Protein P01584 56 GC02M112829 23:44
Beta Coding
19 HFE Homeostatic Protein Q30201 54 GC06P026087 0.9597222222
Iron Regulator Coding
20 LOC129931648
ATAC-STARR- Functional 7 GC01P163586 21:26
Seq Element
Lymphoblastoi
d Silent
Region 1440

21 IDH1 Isocitrate Protein O75874 61 GC02M208236 21:21


Dehydrogenas Coding
e (NADP(+)) 1
22 BDNF Brain Derived Protein P23560 58 GC11M027654 21:01
Neurotrophic Coding
Factor
23 MSC-AS1 MSC RNA Gene 19 GC08P071828 0.8916666667
Antisense RNA
1
24 GJB1 Gap Junction Protein P08034 55 GC0XP071212 19:00
Protein Beta 1 Coding
25 KNG1 Kininogen 1 Protein P01042 57 GC03P186717 0.8180555556
Coding
zinc_id ortholog_ gene_namaffinity chembldoctitle reference reference. reference. reference.j
ZINC00000NTRK1_HUNTRK1 0.397222 21266 None 15916429 None CHEMBL11J. Med. Ch
ZINC00000NTRK1_HUNTRK1 0.397222 5114 None 12270156 None CHEMBL11Bioorg. Me
ZINC00004NTRK1_HUNTRK1 0.392361 65509 None None 10.1021/mCHEMBL21ACS Med. C
ZINC00002NTRK1_HUNTRK1 9:22 38237 None 18055203 None CHEMBL11Bioorg. Me
ZINC00002NTRK1_HUNTRK1 9:22 44086 None 18646745 None CHEMBL11J. Med. Ch
ZINC00016NTRK1_HUNTRK1 0.390278 84114 None 24914455 None CHEMBL32J. Med. Ch
ZINC00009NTRK1_HUNTRK1 0.3875 65394 None 22575050 None CHEMBL21J. Med. Ch
ZINC00024NTRK1_HUNTRK1 0.3875 90617 None 25068800 None CHEMBL33J. Med. Ch
ZINC00000NTRK1_HUNTRK1 0.386806 47102 None 19397322 None CHEMBL11J. Med. Ch
ZINC00000NTRK1_HUNTRK1 0.381944 30300 None 15711537 None CHEMBL11Nat. Biotec
ZINC00000NTRK1_HUNTRK1 0.381944 44086 None 18646745 None CHEMBL11J. Med. Ch
ZINC00000NTRK1_HUNTRK1 0.381944 6643 None 15013000 None CHEMBL11Bioorg. Me
ZINC00002NTRK1_HUNTRK1 0.381944 38237 None 18055203 None CHEMBL11Bioorg. Me
ZINC00004NTRK1_HUNTRK1 0.381944 44086 None 18646745 None CHEMBL11J. Med. Ch
ZINC00004NTRK1_HUNTRK1 0.381944 44086 None 18646745 None CHEMBL11J. Med. Ch
ZINC00016NTRK1_HUNTRK1 9:03 84114 None 24914455 None CHEMBL32J. Med. Ch
ZINC00000NTRK1_HUNTRK1 0.376389 13974 None 9191963 None CHEMBL11J. Med. Ch
ZINC00002NTRK1_HUNTRK1 9:00 38237 None 18055203 None CHEMBL11Bioorg. Me
ZINC00002NTRK1_HUNTRK1 9:00 38237 None 18055203 None CHEMBL11Bioorg. Me
ZINC00002NTRK1_HUNTRK1 9:00 38237 None 18055203 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 9:00 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 9:00 44086 None 18646745 None CHEMBL11J. Med. Ch
ZINC00003NTRK1_HUNTRK1 9:00 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 9:00 44086 None 18646745 None CHEMBL11J. Med. Ch
ZINC00003NTRK1_HUNTRK1 9:00 44086 None 18646745 None CHEMBL11J. Med. Ch
ZINC00003NTRK1_HUNTRK1 9:00 58865 None 21812414 None CHEMBL18J. Med. Ch
ZINC00003NTRK1_HUNTRK1 9:00 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00004NTRK1_HUNTRK1 9:00 44086 None 18646745 None CHEMBL11J. Med. Ch
ZINC00000NTRK1_HUNTRK1 8:54 21266 None 15916429 None CHEMBL11J. Med. Ch
ZINC00009NTRK1_HUNTRK1 8:53 65394 None 22575050 None CHEMBL21J. Med. Ch
ZINC00000NTRK1_HUNTRK1 8:52 21266 None 15916429 None CHEMBL11J. Med. Ch
ZINC00003NTRK1_HUNTRK1 8:52 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 8:52 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 8:52 61436 None 22148921 None CHEMBL20J. Med. Ch
ZINC00004NTRK1_HUNTRK1 8:52 44086 None 18646745 None CHEMBL11J. Med. Ch
ZINC00004NTRK1_HUNTRK1 8:52 44086 None 18646745 None CHEMBL11J. Med. Ch
ZINC00005NTRK1_HUNTRK1 8:52 54785 None 21138246 10.1021/j CHEMBL16J. Med. Ch
ZINC00007NTRK1_HUNTRK1 8:52 57597 None 21493067 None CHEMBL17Bioorg. Me
ZINC00008NTRK1_HUNTRK1 8:52 62076 None None 10.1021/mCHEMBL20ACS Med. C
ZINC00010NTRK1_HUNTRK1 8:52 84114 None 24914455 None CHEMBL32J. Med. Ch
ZINC00000NTRK1_HUNTRK1 8:51 81866 None None 10.1039/C CHEMBL32MedChem
ZINC00016NTRK1_HUNTRK1 8:46 84114 None 24914455 None CHEMBL32J. Med. Ch
ZINC00000NTRK1_HUNTRK1 8:40 48311 None 18183025 None CHEMBL11Nat. Biotec
ZINC00000NTRK1_HUNTRK1 8:40 59286 Comprehensi
22037378 None CHEMBL19Nat. Biotec
ZINC00002NTRK1_HUNTRK1 8:40 21266 None 15916429 None CHEMBL11J. Med. Ch
ZINC00002NTRK1_HUNTRK1 8:40 21266 None 15916429 None CHEMBL11J. Med. Ch
ZINC00003NTRK1_HUNTRK1 8:40 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00004NTRK1_HUNTRK1 8:40 44086 None 18646745 None CHEMBL11J. Med. Ch
ZINC00004NTRK1_HUNTRK1 8:40 44086 None 18646745 None CHEMBL11J. Med. Ch
ZINC00008NTRK1_HUNTRK1 8:40 62076 None None 10.1021/mCHEMBL20ACS Med. C
ZINC00002NTRK1_HUNTRK1 0.358333 38313 None 18242992 None CHEMBL11Bioorg. Me
ZINC00010NTRK1_HUNTRK1 0.358333 84114 None 24914455 None CHEMBL32J. Med. Ch
ZINC00016NTRK1_HUNTRK1 0.358333 84114 None 24914455 None CHEMBL32J. Med. Ch
ZINC00010NTRK1_HUNTRK1 8:35 59286 Comprehensi
22037378 None CHEMBL19Nat. Biotec
ZINC00010NTRK1_HUNTRK1 0.357639 76644 None None 10.1021/mCHEMBL31ACS Med. C
ZINC00009NTRK1_HUNTRK1 8:34 65394 None 22575050 None CHEMBL21J. Med. Ch
ZINC00002NTRK1_HUNTRK1 0.355556 6643 None 15013000 None CHEMBL11Bioorg. Me
ZINC00004NTRK1_HUNTRK1 0.355556 44302 None 18678489 None CHEMBL11Bioorg. Me
ZINC00004NTRK1_HUNTRK1 0.355556 44086 None 18646745 None CHEMBL11J. Med. Ch
ZINC00004NTRK1_HUNTRK1 8:32 59286 Comprehensi
22037378 None CHEMBL19Nat. Biotec
ZINC00000NTRK1_HUNTRK1 8:30 21266 None 15916429 None CHEMBL11J. Med. Ch
ZINC00000NTRK1_HUNTRK1 0.353472 35019 None 17266195 None CHEMBL11J. Med. Ch
ZINC00000NTRK1_HUNTRK1 0.353472 21266 None 15916429 None CHEMBL11J. Med. Ch
ZINC00000NTRK1_HUNTRK1 0.353472 5114 None 12270156 None CHEMBL11Bioorg. Me
ZINC00004NTRK1_HUNTRK1 0.353472 44086 None 18646745 None CHEMBL11J. Med. Ch
ZINC00016NTRK1_HUNTRK1 0.353472 84114 None 24914455 None CHEMBL32J. Med. Ch
ZINC00009NTRK1_HUNTRK1 0.352083 65394 None 22575050 None CHEMBL21J. Med. Ch
ZINC00009NTRK1_HUNTRK1 8:27 65394 None 22575050 None CHEMBL21J. Med. Ch
ZINC00002NTRK1_HUNTRK1 0.350694 39500 None 18508265 None CHEMBL11Bioorg. Me
ZINC00002NTRK1_HUNTRK1 8:22 6643 None 15013000 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 8:22 6643 None 15013000 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 0.348611 65609 None 22039836 None CHEMBL21J. Med. Ch
ZINC00004NTRK1_HUNTRK1 8:22 44086 None 18646745 None CHEMBL11J. Med. Ch
ZINC00004NTRK1_HUNTRK1 0.348611 44086 None 18646745 None CHEMBL11J. Med. Ch
ZINC00004NTRK1_HUNTRK1 8:22 44086 None 18646745 None CHEMBL11J. Med. Ch
ZINC00014NTRK1_HUNTRK1 8:22 91440 None 25723005 None CHEMBL34J. Med. Ch
ZINC00003NTRK1_HUNTRK1 0.347222 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 0.347222 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00008NTRK1_HUNTRK1 0.347222 62076 None None 10.1021/mCHEMBL20ACS Med. C
ZINC00009NTRK1_HUNTRK1 0.347222 65394 None 22575050 None CHEMBL21J. Med. Ch
ZINC00010NTRK1_HUNTRK1 8:19 76644 None None 10.1021/mCHEMBL31ACS Med. C
ZINC00003NTRK1_HUNTRK1 0.345139 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 0.345139 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00004NTRK1_HUNTRK1 0.345139 44086 None 18646745 None CHEMBL11J. Med. Ch
ZINC00009NTRK1_HUNTRK1 0.345139 77121 None 24432909 None CHEMBL31J. Med. Ch
ZINC00000NTRK1_HUNTRK1 8:15 6643 None 15013000 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 8:15 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 8:15 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00004NTRK1_HUNTRK1 8:15 44086 None 18646745 None CHEMBL11J. Med. Ch
ZINC00008NTRK1_HUNTRK1 8:15 62076 None None 10.1021/mCHEMBL20ACS Med. C
ZINC00008NTRK1_HUNTRK1 8:15 62076 None None 10.1021/mCHEMBL20ACS Med. C
ZINC00008NTRK1_HUNTRK1 8:15 62076 None None 10.1021/mCHEMBL20ACS Med. C
ZINC00008NTRK1_HUNTRK1 8:15 62076 None None 10.1021/mCHEMBL20ACS Med. C
ZINC00016NTRK1_HUNTRK1 8:15 84114 None 24914455 None CHEMBL32J. Med. Ch
ZINC00001NTRK1_HUNTRK1 0.343056 35004 None 17253679 None CHEMBL11J. Med. Ch
ZINC00009NTRK1_HUNTRK1 0.342361 65394 None 22575050 None CHEMBL21J. Med. Ch
ZINC00003NTRK1_HUNTRK1 0.341667 65609 None 22039836 None CHEMBL21J. Med. Ch
ZINC00003NTRK1_HUNTRK1 0.341667 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00000NTRK1_HUNTRK1 8:10 6643 None 15013000 None CHEMBL11Bioorg. Me
ZINC00001NTRK1_HUNTRK1 0.340278 21266 None 15916429 None CHEMBL11J. Med. Ch
ZINC00001NTRK1_HUNTRK1 0.340278 44086 None 18646745 None CHEMBL11J. Med. Ch
ZINC00002NTRK1_HUNTRK1 8:10 6643 None 15013000 None CHEMBL11Bioorg. Me
ZINC00002NTRK1_HUNTRK1 8:10 39500 None 18508265 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 8:10 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 8:10 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00008NTRK1_HUNTRK1 8:10 62076 None None 10.1021/mCHEMBL20ACS Med. C
ZINC00009NTRK1_HUNTRK1 8:10 84114 None 24914455 None CHEMBL32J. Med. Ch
ZINC00000NTRK1_HUNTRK1 8:08 52618 None 19654408 None CHEMBL12Blood
ZINC00000NTRK1_HUNTRK1 8:08 59286 Comprehensi
22037378 None CHEMBL19Nat. Biotec
ZINC00000NTRK1_HUNTRK1 8:08 81866 None None 10.1039/C CHEMBL32MedChem
ZINC00002NTRK1_HUNTRK1 0.338889 38237 None 18055203 None CHEMBL11Bioorg. Me
ZINC00009NTRK1_HUNTRK1 8:08 65394 None 22575050 None CHEMBL21J. Med. Ch
ZINC00002NTRK1_HUNTRK1 0.3375 52613 None 19039322 None CHEMBL12Leukemia
ZINC00002NTRK1_HUNTRK1 8:05 6643 None 15013000 None CHEMBL11Bioorg. Me
ZINC00002NTRK1_HUNTRK1 8:05 39500 None 18508265 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 8:05 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 8:05 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00004NTRK1_HUNTRK1 8:05 44086 None 18646745 None CHEMBL11J. Med. Ch
ZINC00008NTRK1_HUNTRK1 8:05 62076 None None 10.1021/mCHEMBL20ACS Med. C
ZINC00008NTRK1_HUNTRK1 8:05 62076 None None 10.1021/mCHEMBL20ACS Med. C
ZINC00009NTRK1_HUNTRK1 0.336806 65394 None 22575050 None CHEMBL21J. Med. Ch
ZINC00016NTRK1_HUNTRK1 8:05 84114 None 24914455 None CHEMBL32J. Med. Ch
ZINC00016NTRK1_HUNTRK1 8:05 84114 None 24914455 None CHEMBL32J. Med. Ch
ZINC00009NTRK1_HUNTRK1 0.336111 65394 None 22575050 None CHEMBL21J. Med. Ch
ZINC00009NTRK1_HUNTRK1 8:03 65394 None 22575050 None CHEMBL21J. Med. Ch
ZINC00004NTRK1_HUNTRK1 0.334722 44086 None 18646745 None CHEMBL11J. Med. Ch
ZINC00009NTRK1_HUNTRK1 0.334722 83826 None 24819116 None CHEMBL32J. Med. Ch
ZINC00000NTRK1_HUNTRK1 8:00 21266 None 15916429 None CHEMBL11J. Med. Ch
ZINC00002NTRK1_HUNTRK1 8:00 38237 None 18055203 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 8:00 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 8:00 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00004NTRK1_HUNTRK1 8:00 44086 None 18646745 None CHEMBL11J. Med. Ch
ZINC00004NTRK1_HUNTRK1 8:00 44086 None 18646745 None CHEMBL11J. Med. Ch
ZINC00009NTRK1_HUNTRK1 0.333333 65394 None 22575050 None CHEMBL21J. Med. Ch
ZINC00009NTRK1_HUNTRK1 7:58 65394 None 22575050 None CHEMBL21J. Med. Ch
ZINC00008NTRK1_HUNTRK1 7:57 62076 None None 10.1021/mCHEMBL20ACS Med. C
ZINC00009NTRK1_HUNTRK1 7:57 84114 None 24914455 None CHEMBL32J. Med. Ch
ZINC00029NTRK1_HUNTRK1 7:57 91795 None 25835317 None CHEMBL34J. Med. Ch
ZINC00003NTRK1_HUNTRK1 7:55 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00001NTRK1_HUNTRK1 7:54 21266 None 15916429 None CHEMBL11J. Med. Ch
ZINC00003NTRK1_HUNTRK1 7:54 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 7:54 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00016NTRK1_HUNTRK1 7:54 84114 None 24914455 None CHEMBL32J. Med. Ch
ZINC00000NTRK1_HUNTRK1 7:52 31867 None 17125279 None CHEMBL11J. Med. Ch
ZINC00009NTRK1_HUNTRK1 7:52 65609 None 22039836 None CHEMBL21J. Med. Ch
ZINC00002NTRK1_HUNTRK1 7:51 38237 None 18055203 None CHEMBL11Bioorg. Me
ZINC00009NTRK1_HUNTRK1 7:50 65394 None 22575050 None CHEMBL21J. Med. Ch
ZINC00002NTRK1_HUNTRK1 7:48 39500 None 18508265 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 7:48 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00009NTRK1_HUNTRK1 7:48 65394 None 22575050 None CHEMBL21J. Med. Ch
ZINC00009NTRK1_HUNTRK1 7:47 65394 None 22575050 None CHEMBL21J. Med. Ch
ZINC00003NTRK1_HUNTRK1 7:46 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 7:46 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00009NTRK1_HUNTRK1 7:46 65394 None 22575050 None CHEMBL21J. Med. Ch
ZINC00010NTRK1_HUNTRK1 7:46 76802 None 24359159 None CHEMBL31J. Med. Ch
ZINC00002NTRK1_HUNTRK1 7:44 37414 None 17239587 None CHEMBL11Bioorg. Me
ZINC00004NTRK1_HUNTRK1 7:44 44086 None 18646745 None CHEMBL11J. Med. Ch
ZINC00000NTRK1_HUNTRK1 7:42 46479 None 19320489 None CHEMBL11J. Med. Ch
ZINC00000NTRK1_HUNTRK1 7:42 48311 None 18183025 None CHEMBL11Nat. Biotec
ZINC00000NTRK1_HUNTRK1 7:42 59286 Comprehensi
22037378 None CHEMBL19Nat. Biotec
ZINC00003NTRK1_HUNTRK1 0.318056 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 0.318056 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00002NTRK1_HUNTRK1 7:37 39500 None 18508265 None CHEMBL11Bioorg. Me
ZINC00009NTRK1_HUNTRK1 7:37 65394 None 22575050 None CHEMBL21J. Med. Ch
ZINC00002NTRK1_HUNTRK1 7:36 38237 None 18055203 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 0.316667 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 0.316667 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 0.316667 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 0.316667 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00009NTRK1_HUNTRK1 0.316667 65394 None 22575050 None CHEMBL21J. Med. Ch
ZINC00009NTRK1_HUNTRK1 0.316667 65394 None 22575050 None CHEMBL21J. Med. Ch
ZINC00016NTRK1_HUNTRK1 0.316667 84114 None 24914455 None CHEMBL32J. Med. Ch
ZINC00003NTRK1_HUNTRK1 7:35 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 0.315972 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 0.315972 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 7:34 58210 None 21608528 None CHEMBL18J. Med. Ch
ZINC00003NTRK1_HUNTRK1 7:34 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 7:33 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 0.314583 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 0.314583 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00009NTRK1_HUNTRK1 7:33 65394 None 22575050 None CHEMBL21J. Med. Ch
ZINC00009NTRK1_HUNTRK1 7:33 84114 None 24914455 None CHEMBL32J. Med. Ch
ZINC00016NTRK1_HUNTRK1 0.314583 84114 None 24914455 None CHEMBL32J. Med. Ch
ZINC00003NTRK1_HUNTRK1 0.313889 44086 None 18646745 None CHEMBL11J. Med. Ch
ZINC00004NTRK1_HUNTRK1 0.313889 44086 None 18646745 None CHEMBL11J. Med. Ch
ZINC00002NTRK1_HUNTRK1 7:31 39500 None 18508265 None CHEMBL11Bioorg. Me
ZINC00008NTRK1_HUNTRK1 7:31 62076 None None 10.1021/mCHEMBL20ACS Med. C
ZINC00002NTRK1_HUNTRK1 7:30 38237 None 18055203 None CHEMBL11Bioorg. Me
ZINC00009NTRK1_HUNTRK1 0.3125 65394 None 22575050 None CHEMBL21J. Med. Ch
ZINC00000NTRK1_HUNTRK1 7:29 81866 None None 10.1039/C CHEMBL32MedChem
ZINC00002NTRK1_HUNTRK1 0.311806 39500 None 18508265 None CHEMBL11Bioorg. Me
ZINC00016NTRK1_HUNTRK1 7:29 84114 None 24914455 None CHEMBL32J. Med. Ch
ZINC00002NTRK1_HUNTRK1 7:28 39500 None 18508265 None CHEMBL11Bioorg. Me
ZINC00002NTRK1_HUNTRK1 0.311111 39500 None 18508265 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 7:28 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00005NTRK1_HUNTRK1 7:28 47636 None 19603809 10.1021/j CHEMBL11J. Med. Ch
ZINC00016NTRK1_HUNTRK1 0.311111 84114 None 24914455 None CHEMBL32J. Med. Ch
ZINC00009NTRK1_HUNTRK1 7:27 65394 None 22575050 None CHEMBL21J. Med. Ch
ZINC00003NTRK1_HUNTRK1 7:25 59286 Comprehensi
22037378 None CHEMBL19Nat. Biotec
ZINC00016NTRK1_HUNTRK1 7:25 84114 None 24914455 None CHEMBL32J. Med. Ch
ZINC00006NTRK1_HUNTRK1 7:24 65394 None 22575050 None CHEMBL21J. Med. Ch
ZINC00006NTRK1_HUNTRK1 0.308333 65394 None 22575050 None CHEMBL21J. Med. Ch
ZINC00016NTRK1_HUNTRK1 7:23 84114 None 24914455 None CHEMBL32J. Med. Ch
ZINC00002NTRK1_HUNTRK1 0.306944 38237 None 18055203 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 0.306944 65609 None 22039836 None CHEMBL21J. Med. Ch
ZINC00016NTRK1_HUNTRK1 0.306944 84114 None 24914455 None CHEMBL32J. Med. Ch
ZINC00002NTRK1_HUNTRK1 7:22 38237 None 18055203 None CHEMBL11Bioorg. Me
ZINC00004NTRK1_HUNTRK1 7:22 44086 None 18646745 None CHEMBL11J. Med. Ch
ZINC00016NTRK1_HUNTRK1 7:22 84114 None 24914455 None CHEMBL32J. Med. Ch
ZINC00000NTRK1_HUNTRK1 0.30625 35019 None 17266195 None CHEMBL11J. Med. Ch
ZINC00002NTRK1_HUNTRK1 7:21 6643 None 15013000 None CHEMBL11Bioorg. Me
ZINC00002NTRK1_HUNTRK1 7:21 5086 None 11755341 None CHEMBL11Bioorg. Me
ZINC00002NTRK1_HUNTRK1 0.305556 60408 None 22014550 None CHEMBL19Bioorg. Me
ZINC00002NTRK1_HUNTRK1 7:20 6643 None 15013000 None CHEMBL11Bioorg. Me
ZINC00002NTRK1_HUNTRK1 0.305556 38237 None 18055203 None CHEMBL11Bioorg. Me
ZINC00008NTRK1_HUNTRK1 0.305556 62076 None None 10.1021/mCHEMBL20ACS Med. C
ZINC00016NTRK1_HUNTRK1 7:20 84114 None 24914455 None CHEMBL32J. Med. Ch
ZINC00016NTRK1_HUNTRK1 7:20 84114 None 24914455 None CHEMBL32J. Med. Ch
ZINC00000NTRK1_HUNTRK1 0.304861 35019 None 17266195 None CHEMBL11J. Med. Ch
ZINC00002NTRK1_HUNTRK1 7:19 38237 None 18055203 None CHEMBL11Bioorg. Me
ZINC00009NTRK1_HUNTRK1 7:19 65394 None 22575050 None CHEMBL21J. Med. Ch
ZINC00000NTRK1_HUNTRK1 0.303472 59286 Comprehensi
22037378 None CHEMBL19Nat. Biotec
ZINC00002NTRK1_HUNTRK1 7:17 38237 None 18055203 None CHEMBL11Bioorg. Me
ZINC00002NTRK1_HUNTRK1 0.303472 45451 None 19193011 10.1021/j CHEMBL11J. Med. Ch
ZINC00008NTRK1_HUNTRK1 7:17 62076 None None 10.1021/mCHEMBL20ACS Med. C
ZINC00009NTRK1_HUNTRK1 7:16 65394 None 22575050 None CHEMBL21J. Med. Ch
ZINC00003NTRK1_HUNTRK1 0.302083 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 7:15 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 7:15 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00004NTRK1_HUNTRK1 0.301389 53121 None 20817473 None CHEMBL12Bioorg. Me
ZINC00002NTRK1_HUNTRK1 0.3 38237 None 18055203 None CHEMBL11Bioorg. Me
ZINC00009NTRK1_HUNTRK1 7:12 65394 None 22575050 None CHEMBL21J. Med. Ch
ZINC00000NTRK1_HUNTRK1 0.298611 30300 None 15711537 None CHEMBL11Nat. Biotec
ZINC00002NTRK1_HUNTRK1 0.298611 38344 None 18289854 None CHEMBL11Bioorg. Me
ZINC00002NTRK1_HUNTRK1 7:10 38237 None 18055203 None CHEMBL11Bioorg. Me
ZINC00005NTRK1_HUNTRK1 0.298611 38931 None 18342505 None CHEMBL11Bioorg. Me
ZINC00008NTRK1_HUNTRK1 0.298611 60758 None 22040023 None CHEMBL19J. Med. Ch
ZINC00016NTRK1_HUNTRK1 0.298611 84114 None 24914455 None CHEMBL32J. Med. Ch
ZINC00004NTRK1_HUNTRK1 7:09 44086 None 18646745 None CHEMBL11J. Med. Ch
ZINC00002NTRK1_HUNTRK1 0.297222 38237 None 18055203 None CHEMBL11Bioorg. Me
ZINC00002NTRK1_HUNTRK1 0.297222 5086 None 11755341 None CHEMBL11Bioorg. Me
ZINC00002NTRK1_HUNTRK1 0.297222 13974 None 9191963 None CHEMBL11J. Med. Ch
ZINC00003NTRK1_HUNTRK1 7:08 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00014NTRK1_HUNTRK1 7:08 91440 None 25723005 None CHEMBL34J. Med. Ch
ZINC00014NTRK1_HUNTRK1 7:08 91564 None 25791677 None CHEMBL34Eur. J. Me
ZINC00006NTRK1_HUNTRK1 7:07 75153 None 24044867 None CHEMBL24J. Med. Ch
ZINC00000NTRK1_HUNTRK1 0.295833 30300 None 15711537 None CHEMBL11Nat. Biotec
ZINC00000NTRK1_HUNTRK1 0.295833 41910 None 18077425 None CHEMBL11Proc. Natl.
ZINC00001NTRK1_HUNTRK1 7:06 35019 None 17266195 None CHEMBL11J. Med. Ch
ZINC00009NTRK1_HUNTRK1 7:06 65394 None 22575050 None CHEMBL21J. Med. Ch
ZINC00009NTRK1_HUNTRK1 7:05 65394 None 22575050 None CHEMBL21J. Med. Ch
ZINC00002NTRK1_HUNTRK1 0.294444 38237 None 18055203 None CHEMBL11Bioorg. Me
ZINC00002NTRK1_HUNTRK1 0.294444 39500 None 18508265 None CHEMBL11Bioorg. Me
ZINC00006NTRK1_HUNTRK1 7:04 65394 None 22575050 None CHEMBL21J. Med. Ch
ZINC00003NTRK1_HUNTRK1 0.293056 38237 None 18055203 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 7:02 59286 Comprehensi
22037378 None CHEMBL19Nat. Biotec
ZINC00003NTRK1_HUNTRK1 7:02 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 7:02 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00000NTRK1_HUNTRK1 7:00 48311 None 18183025 None CHEMBL11Nat. Biotec
ZINC00000NTRK1_HUNTRK1 7:00 59286 Comprehensi
22037378 None CHEMBL19Nat. Biotec
ZINC00000NTRK1_HUNTRK1 7:00 48311 None 18183025 None CHEMBL11Nat. Biotec
ZINC00000NTRK1_HUNTRK1 7:00 52618 None 19654408 None CHEMBL12Blood
ZINC00000NTRK1_HUNTRK1 7:00 59286 Comprehensi
22037378 None CHEMBL19Nat. Biotec
ZINC00003NTRK1_HUNTRK1 7:00 44086 None 18646745 None CHEMBL11J. Med. Ch
ZINC00004NTRK1_HUNTRK1 7:00 44086 None 18646745 None CHEMBL11J. Med. Ch
ZINC00002NTRK1_HUNTRK1 6:57 5086 None 11755341 None CHEMBL11Bioorg. Me
ZINC00002NTRK1_HUNTRK1 6:57 13974 None 9191963 None CHEMBL11J. Med. Ch
ZINC00004NTRK1_HUNTRK1 6:57 44086 None 18646745 None CHEMBL11J. Med. Ch
ZINC00004NTRK1_HUNTRK1 6:57 59286 Comprehensi
22037378 None CHEMBL19Nat. Biotec
ZINC00009NTRK1_HUNTRK1 6:57 65394 None 22575050 None CHEMBL21J. Med. Ch
ZINC00004NTRK1_HUNTRK1 6:55 44086 None 18646745 None CHEMBL11J. Med. Ch
ZINC00003NTRK1_HUNTRK1 6:54 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 6:54 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 6:54 45463 None 19260711 10.1021/j CHEMBL11J. Med. Ch
ZINC00003NTRK1_HUNTRK1 6:52 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00002NTRK1_HUNTRK1 6:51 38931 None 18342505 None CHEMBL11Bioorg. Me
ZINC00000NTRK1_HUNTRK1 6:49 59286 Comprehensi
22037378 None CHEMBL19Nat. Biotec
ZINC00002NTRK1_HUNTRK1 6:49 48311 None 18183025 None CHEMBL11Nat. Biotec
ZINC00002NTRK1_HUNTRK1 6:49 59286 Comprehensi
22037378 None CHEMBL19Nat. Biotec
ZINC00002NTRK1_HUNTRK1 6:49 38237 None 18055203 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 6:46 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00004NTRK1_HUNTRK1 6:46 51150 None 20382527 None CHEMBL11Bioorg. Me
ZINC00016NTRK1_HUNTRK1 6:46 84114 None 24914455 None CHEMBL32J. Med. Ch
ZINC00004NTRK1_HUNTRK1 6:44 44086 None 18646745 None CHEMBL11J. Med. Ch
ZINC00010NTRK1_HUNTRK1 6:42 48311 None 18183025 None CHEMBL11Nat. Biotec
ZINC00010NTRK1_HUNTRK1 6:42 52618 None 19654408 None CHEMBL12Blood
ZINC00010NTRK1_HUNTRK1 6:42 59286 Comprehensi
22037378 None CHEMBL19Nat. Biotec
ZINC00009NTRK1_HUNTRK1 6:40 84114 None 24914455 None CHEMBL32J. Med. Ch
ZINC00003NTRK1_HUNTRK1 0.277083 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 0.277083 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 0.276389 45172 None 18714982 None CHEMBL11J. Med. Ch
ZINC00002NTRK1_HUNTRK1 0.275 38237 None 18055203 None CHEMBL11Bioorg. Me
ZINC00002NTRK1_HUNTRK1 0.275 38237 None 18055203 None CHEMBL11Bioorg. Me
ZINC00000NTRK1_HUNTRK1 6:35 48311 None 18183025 None CHEMBL11Nat. Biotec
ZINC00000NTRK1_HUNTRK1 6:35 52618 None 19654408 None CHEMBL12Blood
ZINC00000NTRK1_HUNTRK1 6:35 59286 Comprehensi
22037378 None CHEMBL19Nat. Biotec
ZINC00005NTRK1_HUNTRK1 6:34 59286 Comprehensi
22037378 None CHEMBL19Nat. Biotec
ZINC00003NTRK1_HUNTRK1 0.272917 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 0.272917 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00004NTRK1_HUNTRK1 0.272917 44086 None 18646745 None CHEMBL11J. Med. Ch
ZINC00001NTRK1_HUNTRK1 6:32 48311 None 18183025 None CHEMBL11Nat. Biotec
ZINC00001NTRK1_HUNTRK1 6:32 59286 Comprehensi
22037378 None CHEMBL19Nat. Biotec
ZINC00002NTRK1_HUNTRK1 0.272222 38237 None 18055203 None CHEMBL11Bioorg. Me
ZINC00004NTRK1_HUNTRK1 6:30 45451 None 19193011 10.1021/j CHEMBL11J. Med. Ch
ZINC00004NTRK1_HUNTRK1 0.270833 45172 None 18714982 None CHEMBL11J. Med. Ch
ZINC00009NTRK1_HUNTRK1 6:30 65609 None 22039836 None CHEMBL21J. Med. Ch
ZINC00002NTRK1_HUNTRK1 0.270139 38237 None 18055203 None CHEMBL11Bioorg. Me
ZINC00002NTRK1_HUNTRK1 6:28 38237 None 18055203 None CHEMBL11Bioorg. Me
ZINC00009NTRK1_HUNTRK1 6:26 84114 None 24914455 None CHEMBL32J. Med. Ch
ZINC00003NTRK1_HUNTRK1 6:24 41910 None 18077425 None CHEMBL11Proc. Natl.
ZINC00003NTRK1_HUNTRK1 6:24 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00004NTRK1_HUNTRK1 6:24 49044 None 19857966 None CHEMBL11Bioorg. Me
ZINC00004NTRK1_HUNTRK1 0.266667 49044 None 19857966 None CHEMBL11Bioorg. Me
ZINC00004NTRK1_HUNTRK1 0.265972 49044 None 19857966 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 6:22 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 6:22 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00004NTRK1_HUNTRK1 0.265278 44086 None 18646745 None CHEMBL11J. Med. Ch
ZINC00004NTRK1_HUNTRK1 0.265278 59286 Comprehensi
22037378 None CHEMBL19Nat. Biotec
ZINC00000NTRK1_HUNTRK1 6:21 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00007NTRK1_HUNTRK1 6:21 60758 None 22040023 None CHEMBL19J. Med. Ch
ZINC00001NTRK1_HUNTRK1 6:20 48311 None 18183025 None CHEMBL11Nat. Biotec
ZINC00001NTRK1_HUNTRK1 6:20 59286 Comprehensi
22037378 None CHEMBL19Nat. Biotec
ZINC00003NTRK1_HUNTRK1 6:19 44086 None 18646745 None CHEMBL11J. Med. Ch
ZINC00016NTRK1_HUNTRK1 6:19 84114 None 24914455 None CHEMBL32J. Med. Ch
ZINC00009NTRK1_HUNTRK1 6:18 84114 None 24914455 None CHEMBL32J. Med. Ch
ZINC00000NTRK1_HUNTRK1 0.261806 81866 None None 10.1039/C CHEMBL32MedChem
ZINC00004NTRK1_HUNTRK1 6:17 49044 None 19857966 None CHEMBL11Bioorg. Me
ZINC00016NTRK1_HUNTRK1 0.261806 84114 None 24914455 None CHEMBL32J. Med. Ch
ZINC00009NTRK1_HUNTRK1 0.261111 65958 None 22827572 None CHEMBL21J. Med. Ch
ZINC00000NTRK1_HUNTRK1 0.259722 59286 Comprehensi
22037378 None CHEMBL19Nat. Biotec
ZINC00002NTRK1_HUNTRK1 6:14 38237 None 18055203 None CHEMBL11Bioorg. Me
ZINC00004NTRK1_HUNTRK1 6:14 44086 None 18646745 None CHEMBL11J. Med. Ch
ZINC00006NTRK1_HUNTRK1 0.259028 62837 None 22727637 None CHEMBL20Bioorg. Me
ZINC00002NTRK1_HUNTRK1 0.258333 38237 None 18055203 None CHEMBL11Bioorg. Me
ZINC00002NTRK1_HUNTRK1 6:12 38237 None 18055203 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 6:12 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00004NTRK1_HUNTRK1 0.258333 44086 None 18646745 None CHEMBL11J. Med. Ch
ZINC00004NTRK1_HUNTRK1 6:12 44086 None 18646745 None CHEMBL11J. Med. Ch
ZINC00002NTRK1_HUNTRK1 6:11 30300 None 15711537 None CHEMBL11Nat. Biotec
ZINC00002NTRK1_HUNTRK1 6:10 38237 None 18055203 None CHEMBL11Bioorg. Me
ZINC00002NTRK1_HUNTRK1 0.256944 38237 None 18055203 None CHEMBL11Bioorg. Me
ZINC00009NTRK1_HUNTRK1 6:09 73604 None 23570792 None CHEMBL23Bioorg. Me
ZINC00001NTRK1_HUNTRK1 6:08 59286 Comprehensi
22037378 None CHEMBL19Nat. Biotec
ZINC00016NTRK1_HUNTRK1 0.255556 84114 None 24914455 None CHEMBL32J. Med. Ch
ZINC00002NTRK1_HUNTRK1 6:04 38237 None 18055203 None CHEMBL11Bioorg. Me
ZINC00004NTRK1_HUNTRK1 0.252778 52618 None 19654408 None CHEMBL12Blood
ZINC00004NTRK1_HUNTRK1 0.252778 59286 Comprehensi
22037378 None CHEMBL19Nat. Biotec
ZINC00007NTRK1_HUNTRK1 6:04 60758 None 22040023 None CHEMBL19J. Med. Ch
ZINC00009NTRK1_HUNTRK1 0.252778 84114 None 24914455 None CHEMBL32J. Med. Ch
ZINC00003NTRK1_HUNTRK1 6:01 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00002NTRK1_HUNTRK1 6:00 48311 None 18183025 None CHEMBL11Nat. Biotec
ZINC00002NTRK1_HUNTRK1 6:00 59286 Comprehensi
22037378 None CHEMBL19Nat. Biotec
ZINC00009NTRK1_HUNTRK1 6:00 84114 None 24914455 None CHEMBL32J. Med. Ch
ZINC00010NTRK1_HUNTRK1 6:00 76644 None None 10.1021/mCHEMBL31ACS Med. C
ZINC00003NTRK1_HUNTRK1 5:59 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 5:59 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00009NTRK1_HUNTRK1 5:56 74184 None 23742252 None CHEMBL24J. Med. Ch
ZINC00001NTRK1_HUNTRK1 5:55 45195 None 18754654 None CHEMBL11J. Med. Ch
ZINC00003NTRK1_HUNTRK1 5:54 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00003NTRK1_HUNTRK1 5:54 31387 None 16632359 None CHEMBL11Bioorg. Me
ZINC00004NTRK1_HUNTRK1 5:52 44086 None 18646745 None CHEMBL11J. Med. Ch
ZINC00000NTRK1_HUNTRK1 5:51 48311 None 18183025 None CHEMBL11Nat. Biotec
ZINC00000NTRK1_HUNTRK1 5:51 59286 Comprehensi
22037378 None CHEMBL19Nat. Biotec
ZINC00002NTRK1_HUNTRK1 5:51 59286 Comprehensi
22037378 None CHEMBL19Nat. Biotec
ZINC00009NTRK1_HUNTRK1 5:50 65394 None 22575050 None CHEMBL21J. Med. Ch
ZINC00000NTRK1_HUNTRK1 5:44 30300 None 15711537 None CHEMBL11Nat. Biotec
ZINC00000NTRK1_HUNTRK1 5:43 16901 None 11931608 None CHEMBL11J. Med. Ch
ZINC00002NTRK1_HUNTRK1 5:40 66807 None 21381769 None CHEMBL22J. Med. Ch
ZINC00009NTRK1_HUNTRK1 5:40 66642 None 23061660 None CHEMBL21J. Med. Ch
ZINC00010NTRK1_HUNTRK1 5:40 51092 None 20361800 None CHEMBL11J. Med. Ch
ZINC00009NTRK1_HUNTRK1 5:37 84114 None 24914455 None CHEMBL32J. Med. Ch
ZINC00011NTRK1_HUNTRK1 5:35 90490 None 25022204 None CHEMBL33Bioorg. Me
ZINC00007NTRK1_HUNTRK1 5:33 6643 None 15013000 None CHEMBL11Bioorg. Me
ZINC00007NTRK1_HUNTRK1 5:33 6643 None 15013000 None CHEMBL11Bioorg. Me
ZINC00007NTRK1_HUNTRK1 5:33 6643 None 15013000 None CHEMBL11Bioorg. Me
ZINC00007NTRK1_HUNTRK1 5:33 6643 None 15013000 None CHEMBL11Bioorg. Me
ZINC00000NTRK1_HUNTRK1 5:23 16901 None 11931608 None CHEMBL11J. Med. Ch
ZINC00000NTRK1_HUNTRK1 5:20 48311 None 18183025 None CHEMBL11Nat. Biotec
ZINC00000NTRK1_HUNTRK1 5:20 52618 None 19654408 None CHEMBL12Blood
ZINC00000NTRK1_HUNTRK1 5:20 59286 Comprehensi
22037378 None CHEMBL19Nat. Biotec
ZINC00007NTRK1_HUNTRK1 5:11 59422 None 21958544 None CHEMBL19Bioorg. Me
ZINC00009NTRK1_HUNTRK1 5:11 71954 None 23312472 None CHEMBL23Bioorg. Me
ZINC00004NTRK1_HUNTRK1 5:10 48942 None 19716697 None CHEMBL11Bioorg. Me
ZINC00001NTRK1_HUNTRK1 5:08 35003 None 17253678 None CHEMBL11J. Med. Ch
ZINC00003NTRK1_HUNTRK1 5:07 59286 Comprehensi
22037378 None CHEMBL19Nat. Biotec
ZINC00009NTRK1_HUNTRK1 5:01 71954 None 23312472 None CHEMBL23Bioorg. Me
ZINC00008NTRK1_HUNTRK1 5:00 62851 None 22795331 None CHEMBL20Bioorg. Me
reference.year
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zinc_id smiles
ZINC00002Cc1ccc(Sc2cnc(Nc3cccc(Br)n3)s2)cc1C(=O)N1CCN(C(=O)CN)CC1
ZINC00016CC(C)(C)c1cc(NC(=O)Cn2cc(-c3ccc(-n4ccnc4)nc3)nn2)n(-c2cccnc2)n1
ZINC00002CC(=O)N1CCN(C(=O)c2cc(Sc3cnc(Nc4cccc(Br)n4)s3)ccc2C)CC1
ZINC00002Cc1ccc(Sc2cnc(Nc3cccc(Br)n3)s2)cc1C(=O)N1CCN(C(=O)[C@H](C)N)CC1
ZINC00002Cc1ccc(Sc2cnc(Nc3cccc(Br)n3)s2)cc1C(=O)N1CCN(C(=O)[C@@H](C)N)CC1
ZINC00003NC(=O)Nc1snc(S[C@@H]2CCCCc3ccccc32)c1C(N)=O
ZINC00003CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)ncc2Cl)[nH]n1
ZINC00003C[C@H](Nc1ncc(Cl)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cn1
ZINC00003C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl
ZINC00003NC(=O)Nc1snc(S[C@H]2CCCCc3ccccc32)c1C(N)=O
ZINC00004CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)nc(NC[C@@H](O)CO)c2Cl)n[nH]1
ZINC00000COC(=O)[C@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4
ZINC00004CC(C)Oc1cc(-n2cnc3ccc(N[C@@H](C)c4ccc(F)cn4)nc32)[nH]n1
ZINC00016Cc1cn2cc(CNc3ncnc4ccc(N5CCC[C@@H]5c5cc(F)ccc5F)nc34)nc2s1
ZINC00009Nc1cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)c1
ZINC00024CCCCNc1ncc2c(-c3ccc(CN4CCN(C)CC4)cc3)cn([C@@H]3CC[C@@H](O)CC3)c2n1
ZINC00000CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4
ZINC00000Cn1cc(/C=C2\C(=O)Nc3cccnc32)c2ccccc21
ZINC00002Cc1ccc(Sc2cnc(Nc3cccc(Br)n3)s2)cc1C(=O)N(C)CC#N
ZINC00004CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)ncc2Cl)n[nH]1
ZINC00004CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)nc(OC(CO)CO)c2Cl)n[nH]1
ZINC00000COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4
ZINC00000CO[C@]1(CO)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4
ZINC00009Nc1cc(NS(=O)(=O)c2ccc(F)cc2F)cc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)c1
ZINC00000C[C@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4
ZINC00003CNC(=O)Nc1snc(S[C@@H](C)c2ccc(Cl)cc2)c1C(N)=O
ZINC00003CNC(=O)Nc1snc(S[C@H](C)c2ccc(Cl)cc2)c1C(N)=O
ZINC00003CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3
ZINC00004C[C@H](Nc1nc(NCCO)c(Cl)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cc1
ZINC00004C[C@H](Nc1nc(Nc2cc(C3CC3)n[nH]2)c(Cl)c(NC(CO)CO)n1)c1ccc(F)cc1
ZINC00005Cc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)ncc2Cl)[nH]n1
ZINC00007Cc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)c(C#N)cc2F)n[nH]1
ZINC00008O=C1Nc2cc(Nc3cccc(NC(=O)c4cc(N5CCC(O)CC5)cc(C(F)(F)F)c4)c3)ccc2/C1=C/c1ccc[nH]1
ZINC00010CC(C)N(Cc1c[nH]c2ncccc12)C(=O)Nc1ccc(OC(F)(F)F)cc1
ZINC00016CCOc1cccc(-c2nccc3c2cc(C(=O)O)n3CCOc2ccc(Cl)cc2)c1
ZINC00002CC1(C)O[C@@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)C[C@]1(O)CO
ZINC00002CC1(C)O[C@@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)C[C@@]1(O)CO
ZINC00003CC[C@@H](Sc1nsc(NC(=O)NC)c1C(N)=O)c1ccc(Cl)cc1
ZINC00004OC[C@H](Nc1ncc(Cl)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cc1
ZINC00004CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cc3)nc(NC(CO)CO)c2Cl)n[nH]1
ZINC00008CCN(CC)CCNC(=O)c1c[nH]c(/C=C2\C(=O)Nc3cc(Nc4cccc(NC(=O)c5cc(N6CCN(C)CC6)cc(C(F)(F)F)c5)c4)ccc32)c1
ZINC00010COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)c1ccccc1
ZINC00009Cc1ccc(S(=O)(=O)Nc2cc(N)cc(-c3cnc4[nH]cc(-c5ccncc5)c4c3)c2)cc1
ZINC00004COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1
ZINC00009CC(=O)Nc1cc(N)cc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)c1
ZINC00002CS(=O)(=O)Nc1ccc(N/C=C2\C(=O)Nc3ccccc32)cc1
ZINC00003O=C1Nc2ccccc2/C1=C1\CCc2cc(O)ccc21
ZINC00004C[C@H](Nc1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cc1
ZINC00004CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cc3)ncc2Cl)n[nH]1
ZINC00014COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(CN5C[C@H](C)O[C@H](C)C5)cc4)n[nH]c3c1)C(=O)N2
ZINC00010CC(C)N(Cc1c[nH]c2ncccc12)C(=O)Nc1ccc(SC(F)(F)F)cc1
ZINC00000O=C1Nc2ccccc2/C1=C/Nc1ccc2[nH]c(=O)[nH]c2c1
ZINC00003CNC(=O)Nc1snc(SCc2ccc(Cl)cc2)c1C(N)=O
ZINC00004C[C@H](Nc1ncc(F)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cn1
ZINC00008O=C1Nc2cc(Nc3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)ccc2/C1=C/c1ccc[nH]1
ZINC00008Cc1cn(-c2cc(C(=O)Nc3cccc(Nc4ccc5c(c4)NC(=O)/C5=C\c4ccc[nH]4)c3)cc(C(F)(F)F)c2)cn1
ZINC00008O=C(Nc1cccc(Nc2ccc3c(c2)NC(=O)/C3=C\c2ccc[nH]2)c1)Nc1cccc(C(F)(F)F)c1
ZINC00008CN1CCN(c2cc(C(=O)Nc3cccc(Nc4ccc5c(c4)NC(=O)/C5=C\c4ccc[nH]4)c3)cc(C(F)(F)F)c2)CC1
ZINC00000O=C1Nc2ccccc2/C1=C/Nc1ccc(-n2cncn2)cc1
ZINC00002COc1ccccc1-c1cc(/C=C2\C(=O)Nc3ncc(Br)cc32)cc(Br)c1O
ZINC00002CCNC(=O)O[C@@H](C)[C@H]1c2ccccc2-c2c3c(c4c([nH]c5ccccc54)c21)CNC3=O
ZINC00003CNC(=O)Nc1snc(S[C@@H]2CCc3cc(Cl)ccc32)c1C(N)=O
ZINC00003CNC(=O)Nc1snc(S[C@H]2CCc3cc(Cl)ccc32)c1C(N)=O
ZINC00008Cc1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1Nc1ccc2c(c1)NC(=O)/C2=C\c1ccc[nH]1
ZINC00009O=C(O)c1cc2c(-c3cccc4ccccc34)nccc2n1Cc1noc(-c2ccccc2)n1
ZINC00000C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O
ZINC00009Nc1cc(OCCN2CCOCC2)cc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)c1
ZINC00002O=C1Nc2ccc3ncsc3c2/C1=C/Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
ZINC00002C=CCNC(=O)O[C@@H](C)[C@H]1c2ccccc2-c2c3c(c4c([nH]c5ccccc54)c21)CNC3=O
ZINC00003CC[C@H](Sc1nsc(NC(=O)NC)c1C(N)=O)c1ccc(Cl)cc1
ZINC00004C[C@H](Nc1nc(NC[C@@H](O)CO)c(Cl)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cc1
ZINC00008Cc1[nH]c(/C=C2\C(=O)Nc3cc(Nc4cccc(NC(=O)c5cc(N6CCN(C)CC6)cc(C(F)(F)F)c5)c4)ccc32)c(C)c1C(=O)O
ZINC00008Cc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ccc2c(c1)NC(=O)/C2=C\c1ccc[nH]1
ZINC00016Cc1cn(-c2ccc(-c3cn(CC(=O)Nc4cc(C5CC5)nn4-c4ccccc4)nn3)cc2)cn1
ZINC00009Nc1cc(NS(=O)(=O)c2ccccc2)cc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)c1
ZINC00002Cc1ccc(Sc2cnc(Nc3cccc(Br)n3)s2)cc1C(=O)N(C)CCC#N
ZINC00003NC(=O)Nc1snc(S[C@H]2CCc3cc(Cl)ccc32)c1C(N)=O
ZINC00003NC(=O)Nc1snc(S[C@@H]2CCc3cc(Cl)ccc32)c1C(N)=O
ZINC00004Cc1cnc(N[C@@H](C)c2ccc(F)cc2)nc1Nc1cc(C2CC2)[nH]n1
ZINC00002CC1CCN(c2cc(N3CCN(C)CC3)ccc2NC(=O)c2cc(C#N)c[nH]2)CC1
ZINC00016CN1CCN(c2ccc(Nc3ncnc4ccc(NCc5cccc(Cl)c5)nc34)cc2)CC1
ZINC00002Cn1cc(/C=C2\C(=O)Nc3ncccc32)c2ccccc21
ZINC00004O=C(Nc1cccc(Cl)c1)Nc1ncc(CCNc2ncnc3ccsc23)s1
ZINC00004OC[C@H](Nc1nc(NCCN2CCOCC2)c(Cl)c(Nc2cc(C3CC3)n[nH]2)n1)c1ccc(F)cc1
ZINC00000COC(=O)[C@]1(O)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4
ZINC00004CN(C)C(=O)C[C@H](Nc1ncc(Cl)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cc1
ZINC00009CN(C)CCOc1cc(N)cc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)c1
ZINC00002C[C@H](OC(=O)NCCCCl)[C@H]1c2ccccc2-c2c3c(c4c([nH]c5ccccc54)c21)CNC3=O
ZINC00003CN(C)CC(=O)N1CCC(c2ccc(NC(=O)c3nc(C#N)c[nH]3)c(C3=CCCCC3)c2)CC1
ZINC00004CNC(=O)C[C@H](Nc1ncc(Cl)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cc1
ZINC00003CNC(=O)Nc1snc(S[C@H](c2ccc(Cl)cc2)C(C)C)c1C(N)=O
ZINC00003CNC(=O)Nc1snc(S[C@@H](c2ccc(Cl)cc2)C(C)C)c1C(N)=O
ZINC00008Cc1cc(C(=O)Nc2cccc(Nc3ccc4c(c3)NC(=O)/C4=C\c3ccc[nH]3)c2)cc(N2CCN(C)CC2)c1
ZINC00009Nc1cccc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)c1
ZINC00004C[C@H](Nc1ncc(F)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cc1
ZINC00009Cc1nc([C@](C)(O)CO)sc1-c1cnc(N)c(O[C@H](C)c2cc(F)ccc2-n2nccn2)c1
ZINC00001CN(C)[C@H]1CCCN(c2ccc(C(F)(F)F)cc2NC(=O)c2cc(C#Cc3cnc(N)nc3)ccc2F)C1
ZINC00009COc1cc(N)cc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)c1
ZINC00003N#Cc1c[nH]c(C(=O)Nc2ccc(C3CCN(CCN4CCOCC4)CC3)cc2C2=CCCCC2)n1
ZINC00003NC(=O)c1c(SCc2ccc(Cl)cc2)nsc1Nc1cccnc1
ZINC00001C[C@]12O[C@H](C[C@@]1(C)O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O
ZINC00001C[C@H](Nc1nccc(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cc1
ZINC00002CCC(=O)N1CCN(C(=O)c2cc(Sc3cnc(Nc4cccc(Br)n4)s3)ccc2C)CC1
ZINC00002COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl
ZINC00009Cc1ccc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)cc1N
ZINC00009COc1cccc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)c1
ZINC00004C[C@H](Nc1nc(NC[C@@H](O)CO)cc(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cc1
ZINC00009C[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)c2ccc(F)cc21
ZINC00009Nc1ccc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)cc1
ZINC00009CN(C)c1cccc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)c1
ZINC00008CN1CCN(c2ccc(C(=O)Nc3cccc(Nc4ccc5c(c4)NC(=O)/C5=C\c4ccc[nH]4)c3)cc2C(F)(F)F)CC1
ZINC00009COc1cc(-c2cn(CC(=O)Nc3cc(C4CC4)nn3-c3ccccc3)nn2)ccc1-n1cnc(C)c1
ZINC00029CCn1nc(C#Cc2cc(C(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)ccc2C)c2c(N)ncnc21
ZINC00003NC(=O)c1c(SCc2ccccc2Cl)nsc1Nc1ccncc1
ZINC00001C[C@]12O[C@H](C[C@@]1(O)C(N)=O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O
ZINC00003C[C@@H](Cc1ccc(Cl)cc1)Sc1nsc(Nc2cccnc2)c1C(N)=O
ZINC00003C[C@H](Cc1ccc(Cl)cc1)Sc1nsc(Nc2cccnc2)c1C(N)=O
ZINC00016O=C(O)c1cc2cc(-c3cc[nH]n3)ccc2n1CCOc1ccc(OC(F)(F)F)cc1
ZINC00000CO[C@@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1
ZINC00009CS(=O)(=O)CCN1CCC(c2ccc(NC(=O)c3nc(C#N)c[nH]3)c(C3=CCCCC3)c2)CC1
ZINC00002CNCCN(C)C(=O)c1cc(Sc2cnc(Nc3cccc(Br)n3)s2)ccc1C
ZINC00009CNc1cccc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)c1
ZINC00002C=CCNC(=O)O[C@H](C)[C@H]1c2ccccc2-c2c3c(c4c([nH]c5ccccc54)c21)CNC3=O
ZINC00003NC(=O)c1c(SCc2ccc(Cl)cc2)nsc1Nc1ccccn1
ZINC00009COc1ccc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)cc1N
ZINC00009CS(=O)(=O)Nc1cc(N)cc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)c1
ZINC00003CCC[C@H](Sc1nsc(NC(=O)NC)c1C(N)=O)c1ccc(Cl)cc1
ZINC00003CCC[C@@H](Sc1nsc(NC(=O)NC)c1C(N)=O)c1ccc(Cl)cc1
ZINC00009CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)c1
ZINC00010C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1
ZINC00002CCOc1cccc2c1c(/C=C1\C(=O)NN=C1c1snnc1C)cn2C
ZINC00004CSc1cc(Nc2nc(N[C@@H](CO)c3ccc(F)cc3)ncc2Cl)[nH]n1
ZINC00000Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)[nH]n1
ZINC00002CCOC(=O)CNC(=O)O[C@H](C)[C@H]1c2ccccc2-c2c3c(c4c([nH]c5ccccc54)c21)CNC3=O
ZINC00002Cc1ccc(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)NCC#N
ZINC00003NC(=O)c1c(SCc2ccc(Cl)cc2)nsc1Nc1ccncc1
ZINC00003CN(C[C@@H]1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1
ZINC00003NC(=O)c1c(SCc2ccc(Cl)cc2)nsc1Nc1ccncn1
ZINC00009CN(C)CCOc1ccc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)cc1N
ZINC00002CCOC(=O)CNC(=O)O[C@@H](C)[C@H]1c2ccccc2-c2c3c(c4c([nH]c5ccccc54)c21)CNC3=O
ZINC00008Cc1cn(-c2cc(C(=O)Nc3cccc(Nc4ccc5c(c4)NC(=O)/C5=C\c4cccn4C)c3)cc(C(F)(F)F)c2)cn1
ZINC00002CC(=O)N1CCN(C(=O)c2cccc(Sc3cnc(Nc4cccc(Br)n4)s3)c2)CC1
ZINC00000CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(=O)O)c(Cl)c2)c2ncn(C(C)C)c2n1
ZINC00002C[C@H](OC(=O)NCc1ccccc1)[C@H]1c2ccccc2-c2c3c(c4c([nH]c5ccccc54)c21)CNC3=O
ZINC00005CNC(=O)c1nn(C)c2c1C(C)(C)Cc1cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc1-2
ZINC00009Nc1cc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)ccc1Cl
ZINC00016CC(C)N(Cc1cccc(-c2nccs2)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1
ZINC00006COc1ccc(-c2c[nH]c3ncc(-c4cncc(N)c4)cc23)cc1OC
ZINC00016CCOc1cccc(-c2nccc3c2cc(C(=O)O)n3CCOc2ccc(OC(F)(F)F)cc2)c1
ZINC00002Cc1ccc(Sc2cnc(Nc3ccccn3)s2)cc1NC(=O)CC#N
ZINC00004Cc1cc(Nc2cc(NC[C@@H](O)CO)nc(N[C@@H](C)c3ccc(F)cc3)n2)n[nH]1
ZINC00002O=C1Nc2ncc(Br)cc2/C1=C/c1cccc(Oc2ccccc2)c1
ZINC00002CCSCc1ccc2c(c1)c1c3c(c4c5ccccc5n5c4c1n2[C@@]1(C)O[C@@H]5C[C@]1(O)C(=O)OC)C(=O)NC3
ZINC00002NS(=O)(=O)c1cccc(N/C=C2\C(=O)Nc3ccccc32)c1
ZINC00002Cc1ccc(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)NCCC#N
ZINC00009Nc1cc(C(=O)N2CCOCC2)cc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)c1
ZINC00002Cc1ccc(Sc2cnc(Nc3cccc(Br)n3)s2)cc1C(=O)NCCC#N
ZINC00008O=C1Nc2cc(Nc3cccc(NC(=O)c4cc(N5CCN(CCO)CC5)cc(C(F)(F)F)c4)c3)ccc2/C1=C/c1ccc[nH]1
ZINC00009Nc1cncc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)c1
ZINC00009Nc1cccc(-c2cnc3[nH]cc(-c4cccnc4)c3c2)c1
ZINC00002CC(=O)N1CCN(C(=O)c2cc(Sc3cnc(Nc4ccccn4)s3)ccc2C)CC1
ZINC00004Cc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cc3)ncc2Cl)n[nH]1
ZINC00003NC(=O)c1c(SCc2ccc(Cl)cc2)nsc1Nc1ccc(=O)[nH]c1
ZINC00006CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5ccc6[nH]ccc6c5)c4c3)cc2)CC1
ZINC00001O=C1NCc2c1c1c3ccccc3sc1c1[nH]c3ccccc3c21
ZINC00009Nc1cccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)c1
ZINC00009Nc1cc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)ccc1C(=O)N1CCOCC1
ZINC00006COc1ccc(-c2c[nH]c3ncc(-c4cccc(NS(=O)(=O)c5ccccc5)c4)cc23)cc1OC
ZINC00000CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1
ZINC00000CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C
ZINC00003C[C@H](Nc1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccccc1
ZINC00004Fc1ccc(CNc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)cc1
ZINC00003NC(=O)Nc1snc(S[C@H]2CCCc3ccccc32)c1C(N)=O
ZINC00003NC(=O)Nc1snc(S[C@@H]2CCCc3ccccc32)c1C(N)=O
ZINC00003CNC(=O)Nc1snc(S[C@@H](c2ccc(Cl)cc2)C(F)(F)F)c1C(N)=O
ZINC00003CNC(=O)Nc1snc(S[C@H](c2ccc(Cl)cc2)C(F)(F)F)c1C(N)=O
ZINC00009COc1ccc(N)cc1-c1cnc2[nH]cc(-c3ccncc3)c2c1
ZINC00009N#Cc1cccc(-c2cnc3[nH]cc(-c4cccc(N)c4)c3c2)c1
ZINC00016CCOc1cccc(-c2nccc3c2cc(C(=O)O)n3CCOc2ccccc2)c1
ZINC00003CNC(=O)Nc1snc(S[C@@H]2CCCc3ccccc32)c1C(N)=O
ZINC00003CNC(=O)Nc1snc(S[C@H]2CCCc3ccccc32)c1C(N)=O
ZINC00016N#Cc1ccc2c(c1)cc(C(=O)O)n2CCOc1ccc(OC(F)(F)F)cc1
ZINC00003COc1ccccc1CNc1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1
ZINC00004OC[C@H](Nc1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccccc1
ZINC00009COc1ccc(-c2c[nH]c3ncc(-c4cccc(N)c4)cc23)cc1OC
ZINC00002C[C@@H](OC(=O)NCCCCl)[C@H]1c2ccccc2-c2c3c(c4c([nH]c5ccccc54)c21)CNC3=O
ZINC00002CCNC(=O)O[C@H](C)[C@H]1c2ccccc2-c2c3c(c4c([nH]c5ccccc54)c21)CNC3=O
ZINC00006COc1ccc(-c2c[nH]c3ncc(-c4cncc(NS(=O)(=O)c5ccccc5)c4)cc23)cc1OC
ZINC00002Cc1ccc(Sc2cnc(Nc3cccc(Br)n3)s2)cc1C(=O)N1CCN(CC(N)=O)CC1
ZINC00000O=C1NCc2c3c(c4[nH]c5ccccc5c4c21)Cc1ccccc1-3
ZINC00002Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1
ZINC00002Cc1ccc(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)N1CCNCC1
ZINC00008O=C1Nc2cc(Nc3cccc(NC(=O)c4ccccc4)c3)ccc2/C1=C/c1ccc[nH]1
ZINC00000O=C1NCc2c1c1c(c3[nH]c4ccccc4c23)Cc2ccccc2-1
ZINC00000COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC
ZINC00002CN1CCN(CCc2ccc(Nc3ncc4c(=O)c(C(N)=O)cn(-c5ccc6c(c5)CCC6)c4n3)cc2)CC1
ZINC00003COc1ccc(Nc2snc(SCc3ccc(Cl)cc3)c2C(N)=O)cn1
ZINC00004O=C(Nc1n[nH]c2cc(C(=O)N[C@H](CN3CCCC3)c3ccccc3)sc12)c1ccc(N2CCOCC2)cc1
ZINC00002CNCCNC(=O)c1cc(Sc2cnc(Nc3ccccn3)s2)ccc1C
ZINC00000COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCN1CCCCC1
ZINC00002NC1CCN(Cc2ccn3ncnc(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)c23)CC1
ZINC00005CN1CCN(c2ccc(Nc3ncc4c(=O)c(C(N)=O)cn(-c5ccc6c(c5)CCC6)c4n3)cc2)CC1
ZINC00008CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN(C=O)[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc21
ZINC00002COC(=O)N1CCN(C(=O)c2cc(Sc3cnc(Nc4ccccn4)s3)ccc2C)CC1
ZINC00002CCOCc1ccc2c(c1)c1c3c(c4c5cc(COCC)ccc5n5c4c1n2[C@H]1C[C@](O)(C(=O)OC)[C@]5(C)O1)CNC3=O
ZINC00002CCN1CCN(C(=O)c2cc(Sc3cnc(Nc4cccc(Br)n4)s3)ccc2C)CC1
ZINC00002C[C@@H](OC(=O)NCc1ccccc1)[C@H]1c2ccccc2-c2c3c(c4c([nH]c5ccccc54)c21)CNC3=O
ZINC00003CC(=O)N1CCN(C(=O)c2cccc(Sc3cnc(Nc4ccccn4)s3)c2)CC1
ZINC00002COCc1ccc2c(c1)c1c3c(c4c5cc(COC)ccc5n5c4c1n2[C@H]1C[C@](O)(C(=O)OC)[C@]5(C)O1)CNC3=O
ZINC00004Cc1cc(CNc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)on1
ZINC00004O=C(c1ccc(/C=C/c2n[nH]c3ccccc23)cc1)N1CCNCC1
ZINC00009N#Cc1cccc(-c2c[nH]c3ncc(-c4cccc(N)c4)cc23)c1
ZINC00004CCCOc1cc(Nc2nc(N[C@@H](CO)c3ccc(F)cc3)ncc2Cl)n[nH]1
ZINC00003CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1
ZINC00002CN1CCN(Cc2ccc(Nc3ncc4c(=O)c(C(N)=O)cn(-c5ccc6c(c5)CCC6)c4n3)cc2)CC1
ZINC00000Cc1[nH]c(/C=C2\C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1
ZINC00002CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
ZINC00002CC(=O)NCCNC(=O)c1cc(Sc2cnc(Nc3ccccn3)s2)ccc1C
ZINC00004O=C(Nc1ccc(F)cc1F)c1cccnc1Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1
ZINC00004Clc1ccc(CNc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)cc1
ZINC00010CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4
ZINC00009O=C(Nc1ccc(OC(F)(F)F)cc1)N(Cc1cccc(-c2nccs2)c1)C1CC1
ZINC00005COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
ZINC00001Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
ZINC00004CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(C4CCN(C)CC4)cc3)ncc2c1=O
ZINC00002CC(=O)N1CCN(C(=O)c2cccc(Sc3cnc(Nc4ccc(Br)cn4)s3)c2)CC1
ZINC00004Cc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)c(C#N)nc2C)n[nH]1
ZINC00000NC(=O)c1c(SCC2CCCCC2)nsc1Nc1cccnc1
ZINC00007CC(=O)N1CC[C@@H](Nc2cncc(C(=O)c3cn(C(C)C)c4ncnc(N)c34)n2)[C@H]1c1ccc(F)cc1
ZINC00001COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1
ZINC00003C[C@@H](Nc1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccccc1
ZINC00004Cc1cc(Nc2cnc(C#N)c(N[C@@H](C)c3ccc(F)cn3)n2)n[nH]1
ZINC00002CC(=O)N1CCN(Cc2cc(Sc3cnc(Nc4ccccn4)s3)ccc2C)CC1
ZINC00004COc1cccc(CNc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)c1
ZINC00002Cc1ccc(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)NCCO
ZINC00004Brc1cnc(NCc2ccccc2)nc1Nc1cc(C2CC2)[nH]n1
ZINC00002Cc1ccc(Sc2cnc(Nc3ccccn3)s2)cc1C(N)=O
ZINC00009O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1
ZINC00001Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1
ZINC00002Cc1ccc(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)N1CCN(S(C)(=O)=O)CC1
ZINC00007CC(=O)N1CC[C@@H](Nc2cncc(C(=O)c3cn(C(C)C)c4ncnc(N)c34)n2)[C@H]1c1ccccc1
ZINC00009c1cncc(CNc2ccc3ncnc(Nc4ccc(N5CCOCC5)cc4)c3n2)c1
ZINC00010CC1(C)CN(c2ccc(OC(F)(F)F)cc2)C(=O)N1Cc1cccc(-c2nccs2)c1
ZINC00003CC(C)Oc1ccc2c(c1)CCc1c-2c2c(c3c4ccccc4n(CCO)c13)CNC2=O
ZINC00002CC(=O)N1CCN(C(=O)c2cccc(Sc3cnc(Nc4cccc(C)n4)s3)c2)CC1
ZINC00002CC(=O)N1CCCN(C(=O)c2cc(Sc3cnc(Nc4ccccn4)s3)ccc2C)CC1
ZINC00004Clc1ccccc1CNc1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1
ZINC00002C#CCNC(=O)c1cc(Sc2cnc(Nc3ccccn3)s2)ccc1C
ZINC00004COc1ccc2c(c1)CCc1c-2c2c(c3c4ccccc4n(CCO)c13)CNC2=O
ZINC00002CC(=O)N1CCN(C(=O)c2ccc(Sc3cnc(Nc4cccc(Br)n4)s3)cc2)CC1
ZINC00004Cc1cc(Nc2cnc(C#N)c(N[C@@H](C)c3ncc(F)cn3)n2)n[nH]1
ZINC00004Cc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)c(C#N)nc2C)n[nH]1
ZINC00004OC[C@H](Nc1ncc(Cl)c(Nc2cc[nH]n2)n1)c1ccc(F)cc1
ZINC00004N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1
ZINC00009Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21
ZINC00000CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
ZINC00006Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
ZINC00002CC(=O)N1CCN(C(=O)c2ccccc2Sc2cnc(Nc3cccc(Br)n3)s2)CC1
ZINC00004OC[C@@H](Nc1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccccc1
ZINC00002Cc1ccc(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)NC(C)C
ZINC00004CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1
ZINC00003CNC(=O)Nc1snc(S[C@@H](c2ccccc2)c2ccc(Cl)cc2)c1C(N)=O
ZINC00003CNC(=O)Nc1snc(S[C@H](c2ccccc2)c2ccc(Cl)cc2)c1C(N)=O
ZINC00009Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCNCC1
ZINC00001CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1
ZINC00004C[C@H](Nc1ncc(Cl)c(Nc2cc(C(C)(C)C)[nH]n2)n1)c1ccc(F)cc1
ZINC00000Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1
ZINC00009Nc1ccc(NS(=O)(=O)c2ccccc2)c(-c2cnc3[nH]cc(-c4ccncc4)c3c2)c1
ZINC00000CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1
ZINC00000O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1NCCO
ZINC00002NCCCC[C@@H]1NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccc(C(N)=O)cc2NC(=O)[C@H](CO)NC1=O
ZINC00009Cn1cc(NC(=O)c2cnn3ccc(N)nc23)c(-c2cc(Cl)ccc2Cl)n1
ZINC00010O=C1Nc2ccc([N+](=O)[O-])cc2/C1=C1/Nc2ccc(O)cc2/C1=N/O
ZINC00011Cn1cc(-c2cnc3ccc(NC(=O)NC(C)(C)C)nc3c2)cn1
ZINC00007Oc1c(Br)cc(/C=C2\c3cc(I)ccc3N[C@H]2O)cc1Br
ZINC00007Oc1c(Br)cc(/C=C2/c3cc(I)ccc3N[C@H]2O)cc1Br
ZINC00007Oc1c(Br)cc(/C=C2\c3cc(I)ccc3N[C@@H]2O)cc1Br
ZINC00007Oc1c(Br)cc(/C=C2/c3cc(I)ccc3N[C@@H]2O)cc1Br
ZINC00007Cc1nc(-c2ccc(C)c(-c3ccc4c(c3)NC(=O)C43CCOCC3)c2)n[nH]1
ZINC00009O=C(NCCCN1CCOC1=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1NC1CCCC1
ZINC00004CCCc1cc(N2CCC(O)CC2)nc2sc(C(N)=O)c(N)c12
ZINC00001CNc1ncnc(-c2cccnc2Oc2ccc(F)c(C(=O)Nc3cc(C(F)(F)F)ccc3N(C)CCCN(C)C)c2)n1
ZINC00003CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc21
ZINC00009O=C(NCCCN1CCCC1=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1NC1CCCC1
ZINC00008CSc1ccccc1Nc1nc(N2CCN(C3CCNCC3)CC2)nc2c(NCC3CC3)ncnc12
(C(F)(F)F)c5)c4)ccc32)c1
n[nH]c3c1)C(=O)N2

32)c(C)c1C(=O)O
(C)O1)CNC3=O

O1)CNC3=O

@H]1CN1CCCC1

cc6n2c5c31)C(=O)NC4
Entry Entry Name
Protein Names
Gene NamesOrganism Length
Q3UFB7 NTRK1_ High Ntrk1 Mus musculus
799(Mouse)
AA
MOUSE affinity
nerve
growth
factor
receptor
[...]

Q91009 NTRK1_ High NTRK1, Gallus gallus


778(Chicken)
AA
CHICK affinity TRKA
nerve
growth
factor
receptor
[...]

P35739 NTRK1_ High Ntrk1, Rattus norvegicus


799 AA(Rat)
RAT affinity Trk, Trka
nerve
growth
factor
receptor
[...]

P04629 NTRK1_ High NTRK1, Homo sapiens


796(Human)
AA
HUMAN affinity MTC,
nerve TRK,
growth TRKA
factor
receptor
[...]

P01138 NGF_HU Beta- NGF, Homo sapiens


241(Human)
AA
MAN nerve NGFB
growth
factor[...
]
F1MC14 F1MC14 Tyrosine NTRK1 Bos taurus 793
(Bovine)
AA
_BOVIN -protein
kinase
receptor
[...]

Q9EQG6 KDIS_R Kinase Kidins22 Rattus norvegicus


1,762 AA(Rat)
AT D- 0, Arms
interacti
ng
substrat
e of 220
kDa[...]
P12270 TPR_HU Nucleop TPR Homo sapiens (Human)
2,363 AA
MAN rotein
TPR[...]
P29353 SHC1_H SHC- SHC1, Homo sapiens
583(Human)
AA
UMAN transfor SHC,
ming SHCA
protein
1[...]
Q9NZ52 GGA3_H ADP- GGA3, Homo sapiens
723(Human)
AA
UMAN ribosylat KIAA015
ion 4
factor-
binding
protein
GGA3[...
]

Q8WU20 FRS2_H Fibrobla FRS2 Homo sapiens


508(Human)
AA
UMAN st
growth
factor
receptor
substrat
e 2[...]

Q9Y4G8 RPGF2_ Rap RAPGEF Homo sapiens (Human)


1,499 AA
HUMAN guanine 2,
nucleoti KIAA031
de 3,
exchang NRAPG
e factor EP,
2[...] PDZGEF
1

P27986 P85A_H Phosph PIK3R1, Homo sapiens


724(Human)
AA
UMAN atidylino GRB1
sitol 3-
kinase
regulato
ry
subunit
alpha[...]

Q92734 TFG_HU Protein TFG Homo sapiens


400(Human)
AA
MAN TFG[...]
A0A2I3HUF3 A0A2I3H Tyrosine NTRK1 Nomascus 787
leucogenys
AA (Northern white-cheeked gibbon) (Hylo
UF3_NO -protein
MLE kinase
receptor
[...]

A0A2K5E2N6 A0A2K5 Tyrosine NTRK1 Aotus nancymaae


796 AA(Ma's night monkey)
E2N6_A -protein
OTNA kinase
receptor
[...]

A0A2K5NXD9 A0A2K5 Tyrosine NTRK1 Cercocebus796


atysAA
(Sooty mangabey) (Cercocebus torquatus aty
NXD9_C -protein
ERAT kinase
receptor
[...]

A0A2K6P833 A0A2K6 Tyrosine NTRK1 Rhinopithecus


796roxellana
AA (Golden snub-nosed monkey) (Pygat
P833_R -protein
HIRO kinase
receptor
[...]

A0A452FSF7 A0A452F Tyrosine NTRK1 Capra hircus


821(Goat)
AA
SF7_CA -protein
PHI kinase
receptor
[...]
A0A4X1VSL3 A0A4X1 Tyrosine NTRK1 Sus scrofa (Pig)
795 AA
VSL3_PI -protein
G kinase
receptor
[...]

A0A8C8YC49 A0A8C8 Tyrosine NTRK1 Panthera leo


787(Lion)
AA
YC49_P -protein
ANLE kinase
receptor
[...]

A0A8I3P078 A0A8I3P Tyrosine NTRK1 Canis lupus796


familiaris
AA (Dog) (Canis familiaris)
078_CA -protein
NLF kinase
receptor
[...]

A0A1A7ZNV0 A0A1A7 Tyrosine NTRK1, Nothobranchius


801 AAfurzeri (Turquoise killifish)
ZNV0_N -protein ntrk1
OTFU kinase
receptor
[...]

A0A0D9S4N9 A0A0D9 Tyrosine NTRK1 Chlorocebus


796sabaeus
AA (Green monkey) (Cercopithecus sabaeu
S4N9_C -protein
HLSB kinase
receptor
[...]

A0A2I2YZ17 A0A2I2Y Tyrosine NTRK1 Gorilla gorilla


796gorilla
AA (Western lowland gorilla)
Z17_GO -protein
RGO kinase
receptor
[...]
organism

protein

1)

Homo sapiens

NTRK1 - High affinity nerve growth factor receptor; Receptor tyrosine kinase involved in the development and the maturation of the central
and peripheral nervous systems through regulation of proliferation, differentiation and survival of sympathetic and nervous
neurons. High affinity receptor for NGF which is its primary ligand. Can also bind and be activated by NTF3/neurotrophin- 3. However, NTF3
only supports axonal extension through NTRK1 but has no effect on neuron survival (By similarity). Upon dimeric NGF ligand- binding,
undergoes homodimerization, autophosphorylation and activation. R [...] [a.k.a. high affinity nerve growth factor receptor, p140-TrkA,
NM_001007792.1, High affinity nerve growth factor receptor]

2)

Mus musculus
Ntrk1 - High affinity nerve growth factor receptor; Receptor tyrosine kinase involved in the development and the maturation of the central and
peripheral nervous systems through regulation of proliferation, differentiation and survival of sympathetic and nervous
neurons. High affinity receptor for NGF which is its primary ligand, it can also bind and be activated by NTF3/neurotrophin-3. However,
NTF3 only supports axonal extension through NTRK1 but has no effect on neuron survival. Upon dimeric NGF ligand-binding, undergoes
homodimerization, autophosphorylation and activation. Recruits, phosph [...] [a.k.a. R-MMU-169893, 18211, ENSMUSP00000077195, High
affinity nerve growth factor receptor]

3)

Camelus dromedarius

NTRK1 - High affinity nerve growth factor receptor. [a.k.a. ENSCDRP00005022335, High affinity nerve growth factor receptor, Neurotrophic
receptor tyrosine kinase 1]

4)

Carlito syrichta
NTRK1 - High affinity nerve growth factor receptor. [a.k.a. UPI000C2F4692, ENSTSYP00000026521, A0A3Q0DNX0_TARSY, high affinity
nerve growth factor receptor]

5)

Coturnix japonica

NTRK1 - Neurotrophic tyrosine kinase receptor type 1. [a.k.a. Neurotrophic receptor tyrosine kinase 1, XM_015884364,
ENSCJPT00005023912, High affinity nerve growth factor receptor]

6)

Cynoglossus semilaevis

ntrk1 - Tyrosine-protein kinase receptor. [a.k.a. XP_016893165.1, Neurotrophic receptor tyrosine kinase 1, UPI0007DC92BF, High affinity
nerve growth factor receptor]

7)

Cyprinodon variegatus
ntrk1 - Tyrosine-protein kinase receptor. [a.k.a. Neurotrophic receptor tyrosine kinase 1, A0A3Q2GQ11, 107101837, High affinity nerve
growth factor receptor]

8)

Delphinapterus leucas

NTRK1 - Tyrosine-protein kinase receptor. [a.k.a. XM_022559547.1, Tyrosine-protein kinase receptor, EC 2.7.10.1, High affinity nerve
growth factor receptor]

9)

Electrophorus electricus

ntrk1 - Tyrosine-protein kinase receptor. [a.k.a. Neurotrophic receptor tyrosine kinase 1, 113571898, A0A4W4GUU8, High affinity nerve
growth factor receptor]

10)

Equus caballus
NTRK1 - Tyrosine-protein kinase receptor. [a.k.a. XP_023496742, NTRK1-202, ENSECAT00000035630, High affinity nerve growth factor
receptor]

11)

Felis catus

NTRK1 - Tyrosine-protein kinase receptor. [a.k.a. ENSFCAT00000057198, Neurotrophic receptor tyrosine kinase 1, XM_023247543, High
affinity nerve growth factor receptor]

12)

Gallus gallus
NTRK1 - High affinity nerve growth factor receptor; Receptor tyrosine kinase involved in the development and the maturation of the central
and peripheral nervous systems through regulation of proliferation, differentiation and survival of sympathetic and nervous
neurons. High affinity receptor for NGF which is its primary ligand, it can also bind and be activated by NTF3/neurotrophin-3. Upon dimeric
NGF ligand-binding, undergoes homodimerization, autophosphorylation and activation. Recruits, phosphorylates and/or activates several
downstream effectors that regulate distinct overlapping signali [...] [a.k.a. Neurotrophic receptor tyrosine kinase 1, UPI000FC471B1,
NP_990709, High affinity nerve growth factor receptor]

13)

Hippocampus comes

ntrk1 - Tyrosine-protein kinase receptor. [a.k.a. Neurotrophic receptor tyrosine kinase 1, ntrk1-201, XM_019863738, High affinity nerve
growth factor receptor]

14)

Kryptolebias marmoratus
ntrk1 - Tyrosine-protein kinase receptor. [a.k.a. Neurotrophic receptor tyrosine kinase 1, ntrk1-201, XP_017288808, High affinity nerve
growth factor receptor]

15)

Larimichthys crocea

ntrk1 - Neurotrophic tyrosine kinase receptor type 1. [a.k.a. XM_019279086.2, Neurotrophic receptor tyrosine kinase 1, ntrk1-201, High
affinity nerve growth factor receptor]

16)

Lingula anatina

LOC106170570 - High affinity nerve growth factor receptor. [a.k.a. XP_013405919.1, A0A1S3J7T4_LINUN, high affinity nerve growth factor
receptor, High affinity nerve growth factor receptor]

17)

Lonchura striata
NTRK1 - Neurotrophic tyrosine kinase receptor type 1. [a.k.a. lsr:110471556, 110471556, ENSLSDT00000026026, High affinity nerve
growth factor receptor]

18)

Nomascus leucogenys

NTRK1 - Tyrosine-protein kinase receptor. [a.k.a. ENSNLEP00000047218, G1RQU0, UPI000C2E0931, High affinity nerve growth factor
receptor]

19)

Numida meleagris

NTRK1 - Neurotrophic tyrosine kinase receptor type 1. [a.k.a. Neurotrophic receptor tyrosine kinase 1, XM_021376812,
ENSNMET00000009721, High affinity nerve growth factor receptor]

20)

Oryzias latipes
ntrk1 - Tyrosine-protein kinase receptor. [a.k.a. 101164184, Neurotrophic receptor tyrosine kinase 1, UPI000EA7402C, High affinity nerve
growth factor receptor]

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